Product Name

  • Name

    2-Naphthyl acrylate

  • EINECS
  • CAS No. 52684-34-1
  • Article Data6
  • CAS DataBase
  • Density 1.147 g/cm3
  • Solubility
  • Melting Point 38-42 °C
  • Formula C13H10O2
  • Boiling Point 345.426 °C at 760 mmHg
  • Molecular Weight 198.221
  • Flash Point 143.685 °C
  • Transport Information
  • Appearance
  • Safety 26
  • Risk Codes 36
  • Molecular Structure Molecular Structure of 52684-34-1 (2-Naphthyl acrylate)
  • Hazard Symbols IrritantXi
  • Synonyms 2-Naphthyl acrylate;
  • PSA 26.30000
  • LogP 2.93120

Synthetic route

acrylic acid
79-10-7

acrylic acid

β-naphthol
135-19-3

β-naphthol

2-naphthyl acrylate
52684-34-1

2-naphthyl acrylate

Conditions
ConditionsYield
With magnesium hydroxide; di-tert-butyl dicarbonate; lithium carbonate at 25℃; for 24h; Reagent/catalyst;95%
acryloyl chloride
814-68-6

acryloyl chloride

β-naphthol
135-19-3

β-naphthol

2-naphthyl acrylate
52684-34-1

2-naphthyl acrylate

Conditions
ConditionsYield
With triethylamine In dichloromethane at 20℃; Inert atmosphere;82%
With triethylamine In acetone at 20℃; for 0.5h; Inert atmosphere;1.32 g
With triethylamine In acetone at 20℃; for 0.5h; Inert atmosphere;1.32 g
acrylic acid
79-10-7

acrylic acid

β-naphthol
135-19-3

β-naphthol

A

2-naphthyl acrylate
52684-34-1

2-naphthyl acrylate

B

β-Naphthyl-β-chlorpropionat
111709-01-4

β-Naphthyl-β-chlorpropionat

Conditions
ConditionsYield
With phosphorus pentachloride In neat (no solvent) 1.) 110-120 deg C, 1 h, 2.) room temp., 2.5 h then 90 deg C, 3 h;A n/a
B 43%
acryloyl chloride
814-68-6

acryloyl chloride

β-naphthol
135-19-3

β-naphthol

A

2-naphthyl acrylate
52684-34-1

2-naphthyl acrylate

B

β-Naphthyl-β-chlorpropionat
111709-01-4

β-Naphthyl-β-chlorpropionat

Conditions
ConditionsYield
With aluminium trichloride In neat (no solvent) 1.) 80-90 deg C, 3 h, 2.) 100 deg C, 1 h;A n/a
B 43%
N-(4-chlorobenzylidene)-4-methoxybenzenesulfonamide
1056904-02-9

N-(4-chlorobenzylidene)-4-methoxybenzenesulfonamide

2-naphthyl acrylate
52684-34-1

2-naphthyl acrylate

(R)-naphthalen-2-yl 2-((4-chlorophenyl)(4-methoxyphenylsulfonamido)methyl)acrylate
1268833-26-6

(R)-naphthalen-2-yl 2-((4-chlorophenyl)(4-methoxyphenylsulfonamido)methyl)acrylate

Conditions
ConditionsYield
With tert-butyl (2-((4-((1R)-7-ethylhexahydro-1H-3,7-methanopyrrolo[2,1-c][1,4]oxazin-1-yl)quinolin-6-yl)amino)-2-oxoethyl)carbamate; β-naphthol In dichloromethane at -30℃; for 48h; Morita-Baylis-Hillman Alkylation; Inert atmosphere; enantioselective reaction;100%
2-naphthyl acrylate
52684-34-1

2-naphthyl acrylate

C16H29NO4S2Si
1241834-17-2

C16H29NO4S2Si

C23H33NO4SSi
1241833-84-0

C23H33NO4SSi

Conditions
ConditionsYield
With C26H27N3O2; β-naphthol In dichloromethane at 10℃; for 12h; Aza-Morita-Baylis-Hillman reaction; Molecular sieve; Inert atmosphere; optical yield given as %ee; enantioselective reaction;99%
2-naphthyl acrylate
52684-34-1

2-naphthyl acrylate

C18H23NO5S2
1241834-07-0

C18H23NO5S2

A

C25H27NO5S
1056904-26-7

C25H27NO5S

B

C19H16O4S
1241833-79-3

C19H16O4S

Conditions
ConditionsYield
With C26H27N3O2; β-naphthol In dichloromethane at 10℃; for 12h; Aza-Morita-Baylis-Hillman reaction; Molecular sieve; Inert atmosphere; optical yield given as %ee; enantioselective reaction;A 99%
B n/a
2-naphthyl acrylate
52684-34-1

2-naphthyl acrylate

(E)-N-benzylidenemethanesulfonamide
73845-05-3

(E)-N-benzylidenemethanesulfonamide

C21H19NO4S
1268833-10-8

C21H19NO4S

Conditions
ConditionsYield
With (S)-N-(1-(diphenylphosphanyl)-3-methylbutan-2-yl)-4-methylbenzenesulfonamide In tetrahydrofuran at 20℃; for 24h; Aza-Morita-Baylis-Hillman reaction; Inert atmosphere; optical yield given as %ee; enantioselective reaction;99%
1-benzylisatin
1217-89-6

1-benzylisatin

2-naphthyl acrylate
52684-34-1

2-naphthyl acrylate

C28H21NO4
1263090-11-4

C28H21NO4

Conditions
ConditionsYield
With 4-(3-ethyl-4-oxa-1-azatricyclo[4,4,0,0(3,8)]dec-5-yl)quinolin-6-ol In dichloromethane at 20℃; for 40h; asymmetric Morita-Baylis-Hillman reaction; optical yield given as %ee; enantioselective reaction;97%
2-naphthyl acrylate
52684-34-1

2-naphthyl acrylate

N-[1-(4-Fluoro-phenyl)-meth-(E)-ylidene]-4-methoxy-benzenesulfonamide

N-[1-(4-Fluoro-phenyl)-meth-(E)-ylidene]-4-methoxy-benzenesulfonamide

(R)-naphthalen-2-yl 2-((4-fluorophenyl)(4-methoxyphenylsulfonamido)methyl)acrylate
1268833-24-4

(R)-naphthalen-2-yl 2-((4-fluorophenyl)(4-methoxyphenylsulfonamido)methyl)acrylate

Conditions
ConditionsYield
With N-((2S,3R)-3-((2,3-dimethylbutan-2-yl)dimethylsilyloxy)-1-(diphenylphosphino)butan-2-yl)-4-methylbenzenesulfonamide In tetrahydrofuran at -30℃; for 48h; Aza-Morita-Baylis-Hillman reaction; Inert atmosphere; optical yield given as %ee; enantioselective reaction;96%
C15H15NO3S
1056904-04-1

C15H15NO3S

2-naphthyl acrylate
52684-34-1

2-naphthyl acrylate

C28H25NO5S
1056904-18-7

C28H25NO5S

Conditions
ConditionsYield
With 6'-N-boc-glycine-β-ICD; β-naphthol In dichloromethane at -30℃; for 68h; Morita-Baylis-Hillman reaction; Inert atmosphere; optical yield given as %ee; enantioselective reaction;95%
2-naphthyl acrylate
52684-34-1

2-naphthyl acrylate

N-benzylidene-4-methoxy-benzenesulfonamide
52960-60-8

N-benzylidene-4-methoxy-benzenesulfonamide

naphthalen-2-yl (S)-2-((4-Methoxyphenylsulfonamido)(phenylmethyl))acrylate
1056904-12-1

naphthalen-2-yl (S)-2-((4-Methoxyphenylsulfonamido)(phenylmethyl))acrylate

Conditions
ConditionsYield
With 6'-N-boc-glycine-β-ICD; β-naphthol In dichloromethane at -30℃; Reactivity; Reagent/catalyst; Solvent; Morita-Baylis-Hillman reaction; Inert atmosphere; optical yield given as %ee; enantioselective reaction;95%
2-naphthyl acrylate
52684-34-1

2-naphthyl acrylate

C21H27NO5S2
1241834-11-6

C21H27NO5S2

C28H31NO5S
1056904-27-8

C28H31NO5S

Conditions
ConditionsYield
With C26H27N3O2; β-naphthol In dichloromethane at 10℃; for 12h; Aza-Morita-Baylis-Hillman reaction; Molecular sieve; Inert atmosphere; optical yield given as %ee; enantioselective reaction;95%
2-naphthyl acrylate
52684-34-1

2-naphthyl acrylate

C15H12F3NO3S

C15H12F3NO3S

(R)-naphthalen-2-yl 2-((4-methoxyphenylsulfonamido)(2-(trifluoromethyl)phenyl)methyl)acrylate
1268833-30-2

(R)-naphthalen-2-yl 2-((4-methoxyphenylsulfonamido)(2-(trifluoromethyl)phenyl)methyl)acrylate

Conditions
ConditionsYield
With N-((2S,3R)-3-((2,3-dimethylbutan-2-yl)dimethylsilyloxy)-1-(diphenylphosphino)butan-2-yl)-4-methylbenzenesulfonamide In tetrahydrofuran at -30℃; for 48h; Aza-Morita-Baylis-Hillman reaction; Inert atmosphere; optical yield given as %ee; enantioselective reaction;95%
2-naphthyl acrylate
52684-34-1

2-naphthyl acrylate

C14H12ClNO3S

C14H12ClNO3S

(S)-naphthalen-2-yl 2-((2-chlorophenyl)(4-methoxyphenylsulfonamido)methyl)acrylate
1268833-31-3

(S)-naphthalen-2-yl 2-((2-chlorophenyl)(4-methoxyphenylsulfonamido)methyl)acrylate

Conditions
ConditionsYield
With N-((2S,3R)-3-((2,3-dimethylbutan-2-yl)dimethylsilyloxy)-1-(diphenylphosphino)butan-2-yl)-4-methylbenzenesulfonamide In tetrahydrofuran at -30℃; for 48h; Aza-Morita-Baylis-Hillman reaction; Inert atmosphere; optical yield given as %ee; enantioselective reaction;95%
2-naphthyl acrylate
52684-34-1

2-naphthyl acrylate

C14H12FNO3S

C14H12FNO3S

(S)-naphthalen-2-yl 2-((2-fluorophenyl)(4-methoxyphenylsulfonamido)methyl)acrylate
1268833-33-5

(S)-naphthalen-2-yl 2-((2-fluorophenyl)(4-methoxyphenylsulfonamido)methyl)acrylate

Conditions
ConditionsYield
With N-((2S,3R)-3-((2,3-dimethylbutan-2-yl)dimethylsilyloxy)-1-(diphenylphosphino)butan-2-yl)-4-methylbenzenesulfonamide In tetrahydrofuran at -30℃; for 48h; Aza-Morita-Baylis-Hillman reaction; Inert atmosphere; optical yield given as %ee; enantioselective reaction;95%
2-naphthyl acrylate
52684-34-1

2-naphthyl acrylate

C12H11NO3S2

C12H11NO3S2

(S)-naphthalen-2-yl 2-((4-methoxyphenylsulfonamido)(thiophen-2-yl)methyl)acrylate
1268833-35-7

(S)-naphthalen-2-yl 2-((4-methoxyphenylsulfonamido)(thiophen-2-yl)methyl)acrylate

Conditions
ConditionsYield
With N-((2S,3R)-3-((2,3-dimethylbutan-2-yl)dimethylsilyloxy)-1-(diphenylphosphino)butan-2-yl)-4-methylbenzenesulfonamide In tetrahydrofuran at -30℃; for 48h; Aza-Morita-Baylis-Hillman reaction; Inert atmosphere; optical yield given as %ee; enantioselective reaction;95%
2-naphthyl acrylate
52684-34-1

2-naphthyl acrylate

C14H12BrNO3S

C14H12BrNO3S

(R)-naphthalen-2-yl 2-((4-bromophenyl)(4-methoxyphenylsulfonamido)methyl)acrylate
1268833-25-5

(R)-naphthalen-2-yl 2-((4-bromophenyl)(4-methoxyphenylsulfonamido)methyl)acrylate

Conditions
ConditionsYield
With N-((2S,3R)-3-((2,3-dimethylbutan-2-yl)dimethylsilyloxy)-1-(diphenylphosphino)butan-2-yl)-4-methylbenzenesulfonamide In tetrahydrofuran at -30℃; for 48h; Aza-Morita-Baylis-Hillman reaction; Inert atmosphere; optical yield given as %ee; enantioselective reaction;95%
(E)-N-(furan-2-ylmethylene)-4-methoxybenzenesulfonamide

(E)-N-(furan-2-ylmethylene)-4-methoxybenzenesulfonamide

2-naphthyl acrylate
52684-34-1

2-naphthyl acrylate

(S)-naphthalen-2-yl 2-(furan-2-yl(4-methoxyphenylsulfonamido)methyl)acrylate
1268833-34-6

(S)-naphthalen-2-yl 2-(furan-2-yl(4-methoxyphenylsulfonamido)methyl)acrylate

Conditions
ConditionsYield
With N-((2S,3R)-3-((2,3-dimethylbutan-2-yl)dimethylsilyloxy)-1-(diphenylphosphino)butan-2-yl)-4-methylbenzenesulfonamide In tetrahydrofuran at -30℃; for 48h; Aza-Morita-Baylis-Hillman reaction; Inert atmosphere; optical yield given as %ee; enantioselective reaction;93%
2-naphthyl acrylate
52684-34-1

2-naphthyl acrylate

C15H12F3NO3S
1191127-92-0

C15H12F3NO3S

(R)-naphthalen-2-yl 2-((4-methoxyphenylsulfonamido)(4-(trifluoromethyl)phenyl)methyl)acrylate
1268833-27-7

(R)-naphthalen-2-yl 2-((4-methoxyphenylsulfonamido)(4-(trifluoromethyl)phenyl)methyl)acrylate

Conditions
ConditionsYield
With N-((2S,3R)-3-((2,3-dimethylbutan-2-yl)dimethylsilyloxy)-1-(diphenylphosphino)butan-2-yl)-4-methylbenzenesulfonamide In tetrahydrofuran at -30℃; for 48h; Aza-Morita-Baylis-Hillman reaction; Inert atmosphere; optical yield given as %ee; enantioselective reaction;93%
2-naphthyl acrylate
52684-34-1

2-naphthyl acrylate

C14H12BrNO3S
1191127-96-4

C14H12BrNO3S

(S)-naphthalen-2-yl 2-((2-bromophenyl)(4-methoxyphenylsulfonamido)methyl)acrylate
1268833-32-4

(S)-naphthalen-2-yl 2-((2-bromophenyl)(4-methoxyphenylsulfonamido)methyl)acrylate

Conditions
ConditionsYield
With N-((2S,3R)-3-((2,3-dimethylbutan-2-yl)dimethylsilyloxy)-1-(diphenylphosphino)butan-2-yl)-4-methylbenzenesulfonamide In tetrahydrofuran at -30℃; for 48h; Aza-Morita-Baylis-Hillman reaction; Inert atmosphere; optical yield given as %ee; enantioselective reaction;93%
(E)-4-methoxy-N-((E)-p-tolylethylidene)benzenesulfonamide
861145-19-9

(E)-4-methoxy-N-((E)-p-tolylethylidene)benzenesulfonamide

2-naphthyl acrylate
52684-34-1

2-naphthyl acrylate

(R)-naphthalen-2-yl 2-((4-methoxyphenylsulfonamido)(p-tolyl)methyl)acrylate
1268833-22-2

(R)-naphthalen-2-yl 2-((4-methoxyphenylsulfonamido)(p-tolyl)methyl)acrylate

Conditions
ConditionsYield
With N-((2S,3R)-3-((2,3-dimethylbutan-2-yl)dimethylsilyloxy)-1-(diphenylphosphino)butan-2-yl)-4-methylbenzenesulfonamide In tetrahydrofuran at -30℃; for 48h; Aza-Morita-Baylis-Hillman reaction; Inert atmosphere; optical yield given as %ee; enantioselective reaction;91%
4-methoxy-N-(4-methylbenzylidene)benzenesulfonamide
1056904-01-8

4-methoxy-N-(4-methylbenzylidene)benzenesulfonamide

2-naphthyl acrylate
52684-34-1

2-naphthyl acrylate

C28H25NO5S
1056904-13-2

C28H25NO5S

Conditions
ConditionsYield
With 6'-N-boc-glycine-β-ICD; β-naphthol In dichloromethane at -30℃; for 67h; Morita-Baylis-Hillman reaction; Inert atmosphere; optical yield given as %ee; enantioselective reaction;90%
2-naphthyl acrylate
52684-34-1

2-naphthyl acrylate

C16H17NO3S

C16H17NO3S

(R)-naphthalen-2-yl 2-((4-ethylphenyl)(4-methoxyphenylsulfonamido)methyl)acrylate
1268833-23-3

(R)-naphthalen-2-yl 2-((4-ethylphenyl)(4-methoxyphenylsulfonamido)methyl)acrylate

Conditions
ConditionsYield
With N-((2S,3R)-3-((2,3-dimethylbutan-2-yl)dimethylsilyloxy)-1-(diphenylphosphino)butan-2-yl)-4-methylbenzenesulfonamide In tetrahydrofuran at -30℃; for 48h; Aza-Morita-Baylis-Hillman reaction; Inert atmosphere; optical yield given as %ee; enantioselective reaction;90%
2-naphthyl acrylate
52684-34-1

2-naphthyl acrylate

(E)-N-benzylidene-4-methoxybenzene sulfonamide

(E)-N-benzylidene-4-methoxybenzene sulfonamide

(R)-naphthalen-2-yl 2-((4-methoxyphenylsulfonamido)(phenyl)methyl)acrylate
1268833-09-5

(R)-naphthalen-2-yl 2-((4-methoxyphenylsulfonamido)(phenyl)methyl)acrylate

Conditions
ConditionsYield
With N-((2S,3R)-3-((2,3-dimethylbutan-2-yl)dimethylsilyloxy)-1-(diphenylphosphino)butan-2-yl)-4-methylbenzenesulfonamide In tetrahydrofuran at -30℃; for 48h; Aza-Morita-Baylis-Hillman reaction; Inert atmosphere; optical yield given as %ee; enantioselective reaction;89%
2-naphthyl acrylate
52684-34-1

2-naphthyl acrylate

4-nitro-N-[(1E)-phenylmethylidene]benzene-1-sulfonamide
63160-16-7

4-nitro-N-[(1E)-phenylmethylidene]benzene-1-sulfonamide

C26H20N2O6S
1268849-55-3

C26H20N2O6S

Conditions
ConditionsYield
With (S)-N-(1-(diphenylphosphanyl)-3-methylbutan-2-yl)-4-methylbenzenesulfonamide In tetrahydrofuran at 20℃; for 24h; Aza-Morita-Baylis-Hillman reaction; Inert atmosphere; optical yield given as %ee; enantioselective reaction;88%
2-naphthyl acrylate
52684-34-1

2-naphthyl acrylate

C14H12ClNO3S

C14H12ClNO3S

(R)-naphthalen-2-yl 2-((3-chlorophenyl)(4-methoxyphenylsulfonamido)methyl)acrylate
1268833-29-9

(R)-naphthalen-2-yl 2-((3-chlorophenyl)(4-methoxyphenylsulfonamido)methyl)acrylate

Conditions
ConditionsYield
With N-((2S,3R)-3-((2,3-dimethylbutan-2-yl)dimethylsilyloxy)-1-(diphenylphosphino)butan-2-yl)-4-methylbenzenesulfonamide In tetrahydrofuran at -30℃; for 48h; Aza-Morita-Baylis-Hillman reaction; Inert atmosphere; optical yield given as %ee; enantioselective reaction;85%
N-ethylisatin
4290-94-2

N-ethylisatin

2-naphthyl acrylate
52684-34-1

2-naphthyl acrylate

naphthalen-2-yl 2-(1-ethyl-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl)acrylate
1392206-63-1

naphthalen-2-yl 2-(1-ethyl-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl)acrylate

Conditions
ConditionsYield
With BF4(1-)*C9H19N2O(1+); 1,8-diazabicyclo[5.4.0]undec-7-ene at 20℃; for 0.416667h; Baylis-Hillman reaction;85%
2-naphthyl acrylate
52684-34-1

2-naphthyl acrylate

N,N-di(buta-2,3-dien-1-yl)-4-methylbenzenesulfonamide

N,N-di(buta-2,3-dien-1-yl)-4-methylbenzenesulfonamide

C28H27NO4S

C28H27NO4S

Conditions
ConditionsYield
With (R)-((4,4’-bi-1,3-benzodioxole)-5,5’-diyl)bis(bis(3,5-di-t-butyl-4-methoxyphenyl))phosphine; bis(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate; hydrogen In tetrahydrofuran; dichloromethane at 40℃; for 16h; regioselective reaction;85%
C14H12BrNO3S
1056904-03-0

C14H12BrNO3S

2-naphthyl acrylate
52684-34-1

2-naphthyl acrylate

naphthalen-2-yl (S)-2-((3-bromophenyl)(4-methoxyphenylsulfonamido)methyl)acrylate
1056904-17-6

naphthalen-2-yl (S)-2-((3-bromophenyl)(4-methoxyphenylsulfonamido)methyl)acrylate

Conditions
ConditionsYield
With 6'-N-boc-glycine-β-ICD; β-naphthol In dichloromethane at -30℃; for 72h; Morita-Baylis-Hillman reaction; Inert atmosphere; optical yield given as %ee; enantioselective reaction;84%
2-naphthyl acrylate
52684-34-1

2-naphthyl acrylate

4-Methoxy-N-[1-(4-methoxy-phenyl)-meth-(E)-ylidene]-benzenesulfonamide
73845-03-1

4-Methoxy-N-[1-(4-methoxy-phenyl)-meth-(E)-ylidene]-benzenesulfonamide

naphthalen-2-yl (S)-2-((4-methoxyphenyl)(4-methoxyphenylsulfonamido)methyl)-acrylate
1056904-16-5

naphthalen-2-yl (S)-2-((4-methoxyphenyl)(4-methoxyphenylsulfonamido)methyl)-acrylate

Conditions
ConditionsYield
With 6'-N-boc-glycine-β-ICD; β-naphthol In dichloromethane at -30℃; for 80h; Morita-Baylis-Hillman reaction; Inert atmosphere; optical yield given as %ee; enantioselective reaction;84%
2-naphthyl acrylate
52684-34-1

2-naphthyl acrylate

C14H12ClNO3S
1191127-93-1

C14H12ClNO3S

(R)-naphthalen-2-yl 2-((4-chlorophenyl)(4-methoxyphenylsulfonamido)methyl)acrylate
1268833-26-6

(R)-naphthalen-2-yl 2-((4-chlorophenyl)(4-methoxyphenylsulfonamido)methyl)acrylate

Conditions
ConditionsYield
With N-((2S,3R)-3-((2,3-dimethylbutan-2-yl)dimethylsilyloxy)-1-(diphenylphosphino)butan-2-yl)-4-methylbenzenesulfonamide In tetrahydrofuran at -30℃; for 48h; Aza-Morita-Baylis-Hillman reaction; Inert atmosphere; optical yield given as %ee; enantioselective reaction;84%
2-naphthyl acrylate
52684-34-1

2-naphthyl acrylate

C14H12N2O5S
1312951-18-0

C14H12N2O5S

(R)-naphthalen-2-yl 2-((4-methoxyphenylsulfonamido)(4-nitrophenyl)methyl)acrylate
1268849-56-4

(R)-naphthalen-2-yl 2-((4-methoxyphenylsulfonamido)(4-nitrophenyl)methyl)acrylate

Conditions
ConditionsYield
With N-((2S,3R)-3-((2,3-dimethylbutan-2-yl)dimethylsilyloxy)-1-(diphenylphosphino)butan-2-yl)-4-methylbenzenesulfonamide In tetrahydrofuran at -30℃; for 48h; Aza-Morita-Baylis-Hillman reaction; Inert atmosphere; optical yield given as %ee; enantioselective reaction;84%

2-Naphthyl acrylate Specification

The 2-Propenoic acid, 2-naphthalenyl ester, with the CAS registry number 52684-34-1, is also known as 2-Naphthyl acrylate. It belongs to the product categories of Monomer; C12 to C63 Photonic and Optical Materials; Carbonyl Compounds; Esters; Photoluminescent Materials > Fluorescent Monomers. This chemical's molecular formula is C13H10O2 and molecular weight is 198.22. What's more, its IUPAC name is called 2-Naphthyl acrylate.

Physical properties about 2-Propenoic acid, 2-naphthalenyl ester are: (1)ACD/LogP: 3.171; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.17; (4)ACD/LogD (pH 7.4): 3.17; (5)ACD/BCF (pH 5.5): 151.26; (6)ACD/BCF (pH 7.4): 151.26; (7)ACD/KOC (pH 5.5): 1264.33; (8)ACD/KOC (pH 7.4): 1264.33; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.609; (14)Molar Refractivity: 59.795 cm3; (15)Molar Volume: 172.778 cm3; (16)Polarizability: 23.704×10-24cm3; (17)Surface Tension: 42.602 dyne/cm; (18)Density: 1.147 g/cm3; (19)Flash Point: 143.685 °C; (20)Enthalpy of Vaporization: 58.949 kJ/mol; (21)Boiling Point: 345.426 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system or other mucous membranes. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(Oc2ccc1c(cccc1)c2)\C=C
(2) InChI: InChI=1S/C13H10O2/c1-2-13(14)15-12-8-7-10-5-3-4-6-11(10)9-12/h2-9H,1H2
(3) InChIKey: SLVJUZOHXPZVLR-UHFFFAOYSA-N

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