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(S)-(-)-3-Cyclohexenecarboxylic acid

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Name

(S)-(-)-3-Cyclohexenecarboxylic acid

EINECS 634-675-3
CAS No. 5708-19-0 Density 1.126 g/cm3
PSA 37.30000 LogP 1.42730
Solubility N/A Melting Point 19°C(lit.)
Formula C7H10O2 Boiling Point 241.726 °C at 760 mmHg
Molecular Weight 126.155 Flash Point 109.903 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39-45 Risk Codes 34
Molecular Structure Molecular Structure of 5708-19-0 ((S)-(-)-3-Cyclohexenecarboxylic acid) Hazard Symbols C
Synonyms

(1S)-cyclohex-3-ene-1-carboxylic acid;

Article Data 26

(S)-(-)-3-Cyclohexenecarboxylic acid Specification

The (S)-(-)-3-Cyclohexenecarboxylic acid with its cas register number is 5708-19-0. It also can be called as (1S)-cyclohex-3-ene-1-carboxylic acid and the IUPAC Name about this chemical is (1S)-cyclohex-3-ene-1-carboxylic acid.

Physical properties about (S)-(-)-3-Cyclohexenecarboxylic acid are: (1)ACD/LogP: 1.31; (2)ACD/LogD (pH 5.5): 0.421; (3)ACD/LogD (pH 7.4): ; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 15.929; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 37.3Å2; (12)Index of Refraction: 1.508; (13)Molar Refractivity: 33.381 cm3; (14)Molar Volume: 111.997 cm3; (15)Polarizability: 13.233x10-24cm3; (16)Surface Tension: 44.036 dyne/cm; (17)Enthalpy of Vaporization: 52.719 kJ/mol; (18)Vapour Pressure: 0.012 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CC(CC=C1)C(=O)O
(2)Isomeric SMILES: C1C[C@@H](CC=C1)C(=O)O
(3)InChI: InChI=1S/C7H10O2/c8-7(9)6-4-2-1-3-5-6/h1-2,6H,3-5H2,(H,8,9)/t6-/m1/s1
(4)InChIKey: VUSWCWPCANWBFG-ZCFIWIBFSA-N

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