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823-18-7

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Basic Information
CAS No.: 823-18-7
Name: Cyclohexane-1,3-diol
Article Data: 22
Molecular Structure:
Molecular Structure of 823-18-7 (Cyclohexane-1,3-diol)
Formula: C6H12O2
Molecular Weight: 116.16
Synonyms: cis-1,3-cyclohexandiol;(1R)-1β,3β-Dihydroxycyclohexane;(1R)-Cyclohexane-1β,3β-diol;(1R,3S)-1,3-Cyclohexanediol;
Density: 1.156 g/cm3
Melting Point: 81.0 to 85.0 °C
Boiling Point: 246.5 °C at 760 mmHg
Flash Point: 123.9 °C
PSA: 40.46000
LogP: 0.28220
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Specification

The CAS register number of Cyclohexane-1,3-diol is 823-18-7. It also can be called as (1R,3S)-1,3-Cyclohexanediol. The molecular formula about this chemical is C6H12O2 and the molecular weight is 116.16008.

Physical properties about Cyclohexane-1,3-diol are: (1)ACD/LogP: -0.29; (2)ACD/LogD (pH 5.5): -0.29; (3)ACD/LogD (pH 7.4): -0.29; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 16.54; (7)ACD/KOC (pH 7.4): 16.54; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 18.46 Å2; (12)Index of Refraction: 1.526; (13)Molar Refractivity: 30.85 cm3; (14)Molar Volume: 100.4 cm3; (15)Polarizability: 12.23x10-24cm3; (16)Surface Tension: 40.7 dyne/cm; (17)Density: 1.156 g/cm3; (18)Flash Point: 123.9 °C; (19)Enthalpy of Vaporization: 56.19 kJ/mol; (20)Boiling Point: 246.5 °C at 760 mmHg; (21)Vapour Pressure: 0.00445 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC1CCCC(O)C1
(2)InChI: InChI=1/C6H12O2/c7-5-2-1-3-6(8)4-5/h5-8H,1-4H2
(3)InChIKey: RLMGYIOTPQVQJR-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C6H12O2/c7-5-2-1-3-6(8)4-5/h5-8H,1-4H2
(5)Std. InChIKey: RLMGYIOTPQVQJR-UHFFFAOYSA-N