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5708-19-0

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Basic Information
CAS No.: 5708-19-0
Name: (S)-(-)-3-Cyclohexenecarboxylic acid
Article Data: 26
Molecular Structure:
Molecular Structure of 5708-19-0 ((S)-(-)-3-Cyclohexenecarboxylic acid)
Formula: C7H10O2
Molecular Weight: 126.155
Synonyms: (1S)-cyclohex-3-ene-1-carboxylic acid;
EINECS: 634-675-3
Density: 1.126 g/cm3
Melting Point: 19°C(lit.)
Boiling Point: 241.726 °C at 760 mmHg
Flash Point: 109.903 °C
Hazard Symbols: C
Risk Codes: 34
Safety: 26-36/37/39-45
PSA: 37.30000
LogP: 1.42730
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  • (S)-(-)-3-Cyclohexenecarboxylicacid

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    5708-19-0

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    5708-19-0

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    5708-19-0

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  • Casno:

    5708-19-0

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  • 5708-19-0 CAS No.5708-19-0

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    5708-19-0

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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