cis-Hexahydrophthalic acid supplier

Name
cis-Hexahydrophthalic acid
EINECS 216-872-2
CAS No. 610-09-3
Article Data49
CAS DataBase
Density 1.314 g/cm³
Solubility >2g/L(20 oC)
Melting Point 188-192 °C
Formula C₈H₁₂O₄
Boiling Point 384.1 °C at 760 mmHg
Molecular Weight 172.181
Flash Point 200.3 °C
Transport Information
Appearance white crystals
Safety 24/25
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols
Synonyms 1,2-Cyclohexanedicarboxylicacid, cis- (8CI);NSC 57637;cis-1,2-Cyclohexanedicarboxylic acid;cis-Hexahydrophthalic acid;
PSA 74.60000
LogP 0.96200

Synthetic route

: 34112-17-9
cyclohexane-1,2-dicarbonitrile

: 610-09-3
(1R,2S)-cyclohexane-1,2-dicarboxylic acid

Conditions

Conditions	Yield
With hydrogenchloride In water for 24h; Inert atmosphere; Reflux;	65%

: 28907-20-2
cis-cyclohexane-1,2-dicarbonitrile

A: 610-09-3
(1R,2S)-cyclohexane-1,2-dicarboxylic acid

B: 207518-98-7
cis-Cyclohexan-dicarbonsaeure-1,2-monoamid

C: cis-2-carbamoylcyclohexanecarboxylic acid

Conditions

Conditions	Yield
With Rhodococcus rhodochrous IFO 15564; water Yield given. Yields of byproduct given. Title compound not separated from byproducts;	A 26% B n/a C n/a
With Rhodococcus rhodochrous IFO 15564; water Yields of byproduct given;	A 24% B n/a C n/a

...Expand

: 85-44-9
phthalic anhydride

: 610-09-3
(1R,2S)-cyclohexane-1,2-dicarboxylic acid

Conditions

Conditions	Yield
With hydrogen; oxygen; acetic acid

: 635-08-5
cyclohex-1-ene-1,2-dicarboxylic acid

A: 610-09-3
(1R,2S)-cyclohexane-1,2-dicarboxylic acid

: 2305-32-0
trans-1,2-cyclohexanedicarboxylic acid

Conditions

Conditions	Yield
With sodium amalgam; sodium carbonate

: 50708-48-0
cyclohexane-1,1,2,2-tetracarboxylic acid tetraethyl ester

: 610-09-3
(1R,2S)-cyclohexane-1,2-dicarboxylic acid

Conditions

Conditions	Yield
With potassium hydroxide

: 25079-83-8, 38765-76-3, 38765-77-4
cyclohex-3-ene-1,2-dicarboxylic acid

: 610-09-3
(1R,2S)-cyclohexane-1,2-dicarboxylic acid

Conditions

Conditions	Yield
With acetic acid; platinum Hydrogenation;

: 13990-96-0, 13991-44-1, 90927-39-2
(1RS,2SR)-dimethyl 4-oxocyclohexane-1,2-dicarboxylate

: 610-09-3
(1R,2S)-cyclohexane-1,2-dicarboxylic acid

Conditions

Conditions	Yield
With hydrogenchloride; zinc

: 88-99-3
benzene-1,2-dicarboxylic acid

: 610-09-3
(1R,2S)-cyclohexane-1,2-dicarboxylic acid

Conditions

Conditions	Yield
With hydrogenchloride; acetic acid; platinum Hydrogenation;
With hydrogen; acetic acid; platinum
With ethanol; platinum Hydrogenation;

: 64-17-5
ethanol

: furan-2,3,5(4H)-trione pyridine (1:1)

: 7506-66-3
cis-hexahydrophthalimide

: 610-09-3
(1R,2S)-cyclohexane-1,2-dicarboxylic acid

Conditions

Conditions	Yield
Behandeln bei Raumtemperatur;

...Expand

: 3806-82-4
cis-bicyclo[4.2.0]oct-7-ene

: 610-09-3
(1R,2S)-cyclohexane-1,2-dicarboxylic acid

Conditions

Conditions	Yield
With potassium permanganate; sodium periodate; potassium carbonate

: 13149-00-3
1,2-cis-cyclohexanedicarboxylic anhydride

: 610-09-3
(1R,2S)-cyclohexane-1,2-dicarboxylic acid

Conditions

Conditions	Yield
In water for 5h; Heating;
With water Heating;
With acetic acid at 0℃;
With sodium hydroxide at 5℃;

: 124-38-9
carbon dioxide

: 110-83-8
cyclohexene

A: 610-09-3
(1R,2S)-cyclohexane-1,2-dicarboxylic acid

: 2305-32-0
trans-1,2-cyclohexanedicarboxylic acid

Conditions

Conditions	Yield
With In tetrahydrofuran under 760 Torr; Mechanism; Irradiation;
With Ni3(Ph2PCH2PPh2)3I2 Product distribution; Mechanism; Irradiation;

...Expand

: 7732-18-5
water

: furan-2,3,5(4H)-trione pyridine (1:1)

: 7506-66-3
cis-hexahydrophthalimide

: 610-09-3
(1R,2S)-cyclohexane-1,2-dicarboxylic acid

Conditions

Conditions	Yield
Behandeln bei Raumtemperatur;

...Expand

: 89395-29-9
(3aR,7aS)-hexahydroisobenzofuran-1-one

Cr2O3-H2SO4: Cr2O3-H2SO4

: 610-09-3
(1R,2S)-cyclohexane-1,2-dicarboxylic acid

: 85-44-9
phthalic anhydride

: 64-19-7
acetic acid

hydrogen: hydrogen

platinum black: platinum black

A: 2611-01-0
8-oxabicyclo[4,3,0]nonane-7-one

B: 610-09-3
(1R,2S)-cyclohexane-1,2-dicarboxylic acid

: 7076-91-7
(+-)-cis-2-methyl-cyclohexanecarboxylic acid

...Expand

: 64-19-7
acetic acid

: 88-99-3
benzene-1,2-dicarboxylic acid

hydrogen: hydrogen

platinum black: platinum black

: 610-09-3
(1R,2S)-cyclohexane-1,2-dicarboxylic acid

...Expand

anhydride of/the/ inactive trans-hexahydrophthalic acid: anhydride of/the/ inactive trans-hexahydrophthalic acid

: 610-09-3
(1R,2S)-cyclohexane-1,2-dicarboxylic acid

Conditions

Conditions	Yield
at 210 - 220℃; man loest in Soda und faellt mit verd. Schwefelsaeure;

cis-cyclohexene-(4)-dicarboxylic acid-(1.2)-anhydride: cis-cyclohexene-(4)-dicarboxylic acid-(1.2)-anhydride

: 610-09-3
(1R,2S)-cyclohexane-1,2-dicarboxylic acid

Conditions

Conditions	Yield
With acetic acid; platinum Hydrogenation.Behandlung des Reaktionsprodukts mit heissem Wasser;

: 88-98-2
cyclohex-4-ene-1,2-dicarboxylic acid

palladium: palladium

barium sulfate: barium sulfate

natrium carbonate: natrium carbonate

: 610-09-3
(1R,2S)-cyclohexane-1,2-dicarboxylic acid

Conditions

Conditions	Yield
Hydrogenation; cis-Δ4-tetrahydrophthalic acid;

...Expand

: 88-99-3
benzene-1,2-dicarboxylic acid

rhodium/ coal: rhodium/ coal

: 610-09-3
(1R,2S)-cyclohexane-1,2-dicarboxylic acid

Conditions

Conditions	Yield
With water at 80℃; Hydrogenation;

: 635-08-5
cyclohex-1-ene-1,2-dicarboxylic acid

sodium amalgam: sodium amalgam

A: 610-09-3
(1R,2S)-cyclohexane-1,2-dicarboxylic acid

: 2305-32-0
trans-1,2-cyclohexanedicarboxylic acid

...Expand

: 635-08-5
cyclohex-1-ene-1,2-dicarboxylic acid

A: 610-09-3
(1R,2S)-cyclohexane-1,2-dicarboxylic acid

B inactive trans-hexahydrophthalic acid: inactive trans-hexahydrophthalic acid

Conditions

Conditions	Yield
With sodium amalgam; sodium carbonate

: 110-52-1
1,4-dibromo-butane

: 632-56-4
tetraethyl ethane-1,1,2,2-tetracarboxylate

A: 610-09-3
(1R,2S)-cyclohexane-1,2-dicarboxylic acid

B trans-cyclohexane-dicarboxylic acid-(1.2): trans-cyclohexane-dicarboxylic acid-(1.2)

Conditions

Conditions	Yield
With ethanol; sodium ethanolate Erwaermen des Reaktionsprodukts mit aethanol. Kalilauge und Erhitzen der erhaltenen Tetracarbonsaeure auf 200grad;

...Expand

: 88335-92-6
(1S,2R)-2-(methoxycarbonyl)cyclohexanecarboxylic acid

alcoholic NaOH-solution: alcoholic NaOH-solution

: 610-09-3
(1R,2S)-cyclohexane-1,2-dicarboxylic acid

: (+/-)-cis-cyclohexene-(3)-dicarboxylic acid-(1.2)-dichloride

: 610-09-3
(1R,2S)-cyclohexane-1,2-dicarboxylic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: aqueous acetone 2: acetic acid; platinum / Hydrogenation View Scheme

: 54639-71-3, 90954-18-0
(+/-)-4-oxo-cyclohexane-1r,2c-dicarboxylic acid

: 610-09-3
(1R,2S)-cyclohexane-1,2-dicarboxylic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 2: zinc; aqueous HCl View Scheme

: 186983-16-4
1,3-cyclooctadiene

: 610-09-3
(1R,2S)-cyclohexane-1,2-dicarboxylic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: diethyl ether / Irradiation 2: NaIO4, KMnO4, aq. K2CO3 View Scheme

: cis-(+/-)-5-iodoperhydrophthalic acid

: 688-73-3
tri-n-butyl-tin hydride

: 610-09-3
(1R,2S)-cyclohexane-1,2-dicarboxylic acid

Conditions

Conditions	Yield
In 1,2-dimethoxyethane; hexane; ethyl acetate

...Expand

: 88-99-3
benzene-1,2-dicarboxylic acid

A: 610-09-3
(1R,2S)-cyclohexane-1,2-dicarboxylic acid

: 2305-32-0
trans-1,2-cyclohexanedicarboxylic acid

Conditions

Conditions	Yield
With 10% Rh/C; hydrogen In isopropyl alcohol at 60℃; under 3800.26 Torr; for 7h; optical yield given as %de;
With water; hydrogen at 60℃; under 37503.8 Torr; for 1h; Autoclave;	A n/a B n/a

: 610-09-3
(1R,2S)-cyclohexane-1,2-dicarboxylic acid

: 2305-32-0
trans-1,2-cyclohexanedicarboxylic acid

Conditions

Conditions	Yield
With sodium hydroxide In water at 150℃; under 2280.15 Torr; for 72h; Reagent/catalyst; Concentration; Autoclave;	95.5%
With hydrogenchloride at 180℃;
With phosphoric acid
With sulfuric acid

: 610-09-3
(1R,2S)-cyclohexane-1,2-dicarboxylic acid

: 13149-00-3
1,2-cis-cyclohexanedicarboxylic anhydride

Conditions

Conditions	Yield
With Isopropenyl acetate; Montmorillonite KSF for 0.0666667h; Irradiation;	94%
With Isopropenyl acetate; Montmorillonite KSF for 0.0666667h; Product distribution; Irradiation; var. microwave lenghts, var. reaction time, other carboxylic diacids;	94%
With 4-methyl-morpholine; methyl chloroformate In tetrahydrofuran at 20℃; for 0.25h;
With 2,6-bis[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]phenylboronic acid In propiononitrile	99 %Spectr.

: 610-09-3
(1R,2S)-cyclohexane-1,2-dicarboxylic acid

: 60901-05-5
cis-cyclohexane-1,2-dicarboxylic acid chloride

Conditions

Conditions	Yield
With phosphorus pentachloride Ambient temperature;	93%
With thionyl chloride; N,N-dimethyl-formamide for 41h;	78%
With pyridine; thionyl chloride Ambient temperature;
With thionyl chloride

: 610-09-3
(1R,2S)-cyclohexane-1,2-dicarboxylic acid

: potassium cis-1,2-cyclohexanedicarboxylate

Conditions

Conditions	Yield
With potassium hydroxide In diethyl ether; water at 35 - 40℃; for 0.5h; pH=7;	92%

: 4916-57-8
1,2-bis(4'-pyridyl)ethane

: zinc(II) nitrate hexahydrate

: 610-09-3
(1R,2S)-cyclohexane-1,2-dicarboxylic acid

: [Zn2(e,a-cis-1,2-cyclohexanedicarboxylate)2(H2O)(μ-1,2-bis(4-pyridyl)ethane)]*4H2O

Conditions

Conditions	Yield
With NH4OH In ethanol; water mixt. of C6H10(CO2H)2, NH4OH and Zn salt dissolved in H2O; carefully layered with EtOH soln. of 1,2-bis(4-pyridyl)ethane; crystd. for 1 wk; elem. anal.;	91.2%

...Expand

: 610-09-3
(1R,2S)-cyclohexane-1,2-dicarboxylic acid

: disodium cis-1,2-cyclohexanedicarboxylate

Conditions

Conditions	Yield
With sodium hydroxide In diethyl ether; water at 35 - 40℃; for 0.5h; pH=7;	90%
With sodium hydroxide In water at 70℃; for 0.833333h;	85%

: 610-09-3
(1R,2S)-cyclohexane-1,2-dicarboxylic acid

: dilithium cis-1,2-cyclohexanedicarboxylate

Conditions

Conditions	Yield
With lithium hydroxide In water at 75℃; for 0.666667h;	90%

: 592-84-7
n-butyl formate

: 610-09-3
(1R,2S)-cyclohexane-1,2-dicarboxylic acid

: cis-Cyclohexane-1,2-dicarboxylic acid monobutyl ester

B: cis-Cyclohexane-1,2-dicarboxylic acid dibutyl ester

Conditions

Conditions	Yield
With Dowex 50Wx2 In octane at 100℃; for 17h; Esterification;	A 89% B 5%

...Expand

: 610-09-3
(1R,2S)-cyclohexane-1,2-dicarboxylic acid

: ammonium cis-1,2-cyclohexanedicarboxylate

Conditions

Conditions	Yield
With ammonia In diethyl ether; water at 35 - 40℃; for 0.5h; pH=7;	86%

: 610-09-3
(1R,2S)-cyclohexane-1,2-dicarboxylic acid

: 106-95-6
allyl bromide

: 46872-42-8
diprop-2-en-1-yl (1R,2S)-cyclohexane-1,2-dicarboxylate

Conditions

Conditions	Yield
With tetra-(n-butyl)ammonium iodide; potassium carbonate In N,N-dimethyl-formamide at 20℃; for 6h; Inert atmosphere;	85%
Stage #1: (1R,2S)-cyclohexane-1,2-dicarboxylic acid With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 0.166667h; Inert atmosphere; Stage #2: allyl bromide With tetra-(n-butyl)ammonium iodide In N,N-dimethyl-formamide at 20℃; for 6h; Inert atmosphere;	85%

: 610-09-3
(1R,2S)-cyclohexane-1,2-dicarboxylic acid

: 15753-50-1
cis-1,2-cyclohexanedimethanol

Conditions

Conditions	Yield
With lithium aluminium tetrahydride In tetrahydrofuran at 0 - 60℃; Inert atmosphere;	84%

: zinc(II) sulfate heptahydrate

: 610-09-3
(1R,2S)-cyclohexane-1,2-dicarboxylic acid

: zinc cis-1,2-cyclohexanedicarboxylate

Conditions

Conditions	Yield
Stage #1: (1R,2S)-cyclohexane-1,2-dicarboxylic acid With lithium hydroxide In water at 50℃; for 0.333333h; Stage #2: zinc(II) sulfate heptahydrate In water at 85℃; for 0.833333h;	81%

: uranyl nirate hexahydrate

: 610-09-3
(1R,2S)-cyclohexane-1,2-dicarboxylic acid

: 2751-90-8
tetraphenylphosphonium bromide

: 75-05-8
acetonitrile

: [NH4][PPh4][(UO2)8(cis-1,2-cyclohexanedicarboxylate)9(H2O)6]*3H2O

Conditions

Conditions	Yield
In water at 140℃; Sealed tube;	79%

...Expand

: 610-09-3
(1R,2S)-cyclohexane-1,2-dicarboxylic acid

: calcium cis-1,2-cyclohexanedicarboxylate

Conditions

Conditions	Yield
With calcium hydroxide In water at 85℃; for 1h;	78%

: 915698-88-3
C40H44N2Si2

: 610-09-3
(1R,2S)-cyclohexane-1,2-dicarboxylic acid

: C40H44N2Si2*C8H12O4

Conditions

Conditions	Yield
In methanol for 6h; Heating;	76%

: 610-09-3
(1R,2S)-cyclohexane-1,2-dicarboxylic acid

: magnesium cis-1,2-cyclohexanedicarboxylate

Conditions

Conditions	Yield
With magnesium oxide In water at 75℃; for 0.833333h;	73%

: cadmium(II) nitrate hexahydrate

: 610-09-3
(1R,2S)-cyclohexane-1,2-dicarboxylic acid

: 1135-32-6
trans-1,2-bis(4-pyridyl)ethylene

: 1309059-90-2
[Cd(cis-1,2-cyclohexanedicarboxylate)(1,2-bis(4-pyridyl)ethylene)]n

Conditions

Conditions	Yield
With NH4OH In ammonia; acetonitrile aq. NH3; soln. of cis-1,2-cyclohexanedicarboxylic acid and Cd(NO3)2*6H2O in aq. NH3 layered with soln. of 1,2-bis(4-pyridyl)ethene in MeCN, system storedfor 3 wk; crystals isolated; elem. anal.;	70.6%

...Expand

: ferrous(II) sulfate heptahydrate

: 610-09-3
(1R,2S)-cyclohexane-1,2-dicarboxylic acid

: [Fe(II)(e,e-trans-cyclohexane-1,2-dicarboxylate)]

Conditions

Conditions	Yield
With Et3N In water High Pressure; under hydrothermal conditions; mixt. of FeSO4*7H2O, ligand, Et3N and deionized H2O sealed in autoclave; heated at 160°C for 2 d; crystals isolated; elem. anal.;	65%

: uranyl nirate hexahydrate

: [Ni(1,4,8,11-tetra-azacyclotetradecane)(NO3)2]

: 610-09-3
(1R,2S)-cyclohexane-1,2-dicarboxylic acid

: [UO2(cis-1,2-cyclohexanedicarboxylate)2Ni(1,4,8,11-tetraazacyclotetradecane)(H2O)]

Conditions

Conditions	Yield
In water; N,N-dimethyl-formamide at 140℃; High pressure;	65%

...Expand

: zinc nitrate tetrahydrate

: 357429-12-0
1,4-bis(pyridin-4-ylmethyl)piperazine

: 610-09-3
(1R,2S)-cyclohexane-1,2-dicarboxylic acid

: 7732-18-5
water

: {[Zn2(cis-1,2-cyclohexanedicarboxylate)2(bis(4-pyridylmethyl)piperazine)]•6H2O}n

Conditions

Conditions	Yield
With sodium hydroxide at 120℃; for 48h; Sealed tube; High pressure;	62%

...Expand

: 610-09-3
(1R,2S)-cyclohexane-1,2-dicarboxylic acid

: 67-63-0
isopropyl alcohol

: (1R*,2S*)-diisopropyl cyclohexane-1,2-dicarboxylate

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 60℃; Inert atmosphere; Sealed tube;	61%

: 610-09-3
(1R,2S)-cyclohexane-1,2-dicarboxylic acid

: 62-53-3
aniline

: 92670-99-0
cis-2-phenyl-octahydroisoindole-1,3-dione

Conditions

Conditions	Yield
microwave irradiation;	60%

: 959701-71-4
spiro[naphtho[1,2-b][1,4]oxathiine-2,4'-piperidine]-5,6-dione

: 610-09-3
(1R,2S)-cyclohexane-1,2-dicarboxylic acid

: spiro[naphtho[1,2-b][1,4]oxathiine-2,4'-piperidinium]-5,6-dione cis-2-carboxycyclohexanecarboxylate

Conditions

Conditions	Yield
In acetonitrile at 80℃;	60%

: zinc(II) nitrate hexahydrate

: 610-09-3
(1R,2S)-cyclohexane-1,2-dicarboxylic acid

: 1135-32-6
trans-1,2-bis(4-pyridyl)ethylene

: [Zn2(μ-e,a-cis-1,2-cyclohexanedicarboxylate)2(μ-1,2-bis(4-pyridyl)ethylene)]*2H2O

Conditions

Conditions	Yield
With NH4OH In water; acetone mixt. of C6H10(CO2H)2, NH4OH and Zn salt dissolved in H2O; carefully layered with acetone soln. of 1,2-bis(4-pyridyl)ethylene; crystd. for 1 wk; elem. anal.;	54%

...Expand

: zinc(II) nitrate hexahydrate

: 17252-51-6
1,3-di(4-pyridyl)propane

: 610-09-3
(1R,2S)-cyclohexane-1,2-dicarboxylic acid

: [Zn2(μ-e,a-cis-1,2-cyclohexanedicarboxylate)2(μ-1,3-bis(4-pyridyl)propane)2Zn2(μ-cis-1,2-C6H10(CO2)2)2(H2O)2]*MeCN*2H2O

Conditions

Conditions	Yield
With NH4OH In further solvent(s) mixt. of C6H10(CO2H)2, NH4OH and Zn salt dissolved in H2O; carefully layered with soln. of 1,2-bis(4-pyridyl)propane in acetone-MeOH-EtOH; crystd. for 1 wk; elem. anal.;	52%

...Expand

: 610-09-3
(1R,2S)-cyclohexane-1,2-dicarboxylic acid

: 3844-54-0
L-2-aminohexanoic acid-methyl ester hydrochloride

: C22H38N2O6

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In N,N-dimethyl-formamide for 1h;	52%

: 610-09-3
(1R,2S)-cyclohexane-1,2-dicarboxylic acid

: 100-46-9
benzylamine

: 66050-00-8
2-benzylhexahydro-1H-isoindole-1,3(2H)-dione

Conditions

Conditions	Yield
microwave irradiation;	50%

: zinc(II) nitrate hexahydrate

: 610-09-3
(1R,2S)-cyclohexane-1,2-dicarboxylic acid

: 794485-43-1
1,3-bis(1H-imidazol-4-yl)benzene

: [Zn(1,3-di(1H-imidazol-4-yl)benzene)(cis-1,2-cyclohexanedicarboxylic acid)]

Conditions

Conditions	Yield
With sodium hydroxide In water at 100℃; for 72h; High pressure;	49%

...Expand

: 143-27-1
hexadecylamine

: 610-09-3
(1R,2S)-cyclohexane-1,2-dicarboxylic acid

: C40H78N2O2

Conditions

Conditions	Yield
Stage #1: (1R,2S)-cyclohexane-1,2-dicarboxylic acid With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In dichloromethane for 0.25h; Inert atmosphere; Stage #2: hexadecylamine In dichloromethane; N,N-dimethyl-formamide at 20℃; for 4h; Inert atmosphere;	49%

cis-Hexahydrophthalic acid Specification

The cis-Hexahydrophthalic acid is an organic compound with the formula C₈H₁₂O₄. The IUPAC name of this chemical is (1S,2R)-cyclohexane-1,2-dicarboxylic acid. With the CAS registry number 610-09-3, it is also named as 1,2-Benzenedicarboxylic acid, hexahydro-. Besides, it is a white crystals, which should be stored in a cool and dry place.

Physical properties about cis-Hexahydrophthalic acid are: (1)ACD/LogP: 0.64; (2)ACD/LogD (pH 5.5): -0.8; (3)ACD/LogD (pH 7.4): -3.66; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.92; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 52.6 Å²; (12)Index of Refraction: 1.521; (13)Molar Refractivity: 39.88 cm³; (14)Molar Volume: 130.9 cm³; (15)Polarizability: 15.81×10^-24cm³; (16)Surface Tension: 57.8 dyne/cm; (17)Density: 1.314 g/cm³; (18)Flash Point: 200.3 °C; (19)Enthalpy of Vaporization: 69.46 kJ/mol; (20)Boiling Point: 384.1 °C at 760 mmHg; (21)Vapour Pressure: 5.78E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C1C(C(=O)O)CCCC1
(2)InChI: InChI=1/C8H12O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)
(3)InChIKey: QSAWQNUELGIYBC-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C8H12O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)
(5)Std. InChIKey: QSAWQNUELGIYBC-UHFFFAOYSA-N

Product Name

cis-Hexahydrophthalic acid

Synthetic route

cis-Hexahydrophthalic acid Specification

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