2-Propen-1-one,1-(4...

2-Propen-1-one,1-(4-methoxyphenyl)-3-(1-naphthalenyl)-(CAS No. 56412-54-5)

2-Propen-1-one,1-(4-methoxyphenyl)-3-(1-naphthalenyl)-(CAS No. 56412-54-5)

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2-Propen-1-one,1-(4-methoxyphenyl)-3-(1-naphthalenyl)- 56412-54-5 98%

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  • Appearance:Solid
  • Application:Organic Chemicals
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  • ProductionCapacity:1|Metric Ton|Month
  • Storage:room temperature
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Details:

【Name】
2-Propen-1-one,1-(4-methoxyphenyl)-3-(1-naphthalenyl)-
【Iupac name】
1-(4-methoxyphenyl)-3-naphthalen-1-ylprop-2-en-1-one
【CAS Registry number】
56412-54-5
【Synonyms】
NSC 201639
【Molecular Formula】
C20H16 O2 (Products with the same molecular formula)
【Molecular Weight】
288.3398
【Inchi】
InChI=1/C20H16O2/c1-22-18-12-9-17(10-13-18)20(21)14-11-16-7-4-6-15-5-2-3-8-19(15)16/h2-14H,1H3
【Canonical SMILES】
COC1=CC=C(C=C1)C(=O)C=CC2=CC=CC3=CC=CC=C32
Chemical and Physical Properties
【Density】
1.162g/cm3
【Boiling Point】
486.1°Cat760mmHg
【Refractive Index】
1.66
【Flash Point】
220.7°C
【Computed Properties】
Molecular Weight:288.33984 [g/mol]
Molecular Formula:C20H16O2
XLogP3-AA:4.9
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:4
Exact Mass:288.11503
MonoIsotopic Mass:288.11503
Topological Polar Surface Area:26.3
Heavy Atom Count:22
Formal Charge:0
Complexity:393
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Ring Count:3
Effective Rotor Count:4
Conformer Sampling RMSD:0.6
CID Conformer Count:40

 

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