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831-13-0

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Basic Information
CAS No.: 831-13-0
Name: 1-cyclohex-3-enyl-phenyl-methanol
Article Data: 2
Molecular Structure:
Molecular Structure of 831-13-0 (1-cyclohex-3-enyl-phenyl-methanol)
Formula: C13H16O
Molecular Weight: 188.269
Synonyms: 3-Cyclohexene-1-methanol,a-phenyl- (7CI,8CI);NSC 49155;C13H16O;
Density: 1.067 g/cm3
Boiling Point: 297.2 °C at 760 mmHg
Flash Point: 125.3 °C
PSA: 20.23000
LogP: 3.07630
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Specification

The Benzenemethanol, a-3-cyclohexen-1-yl-, with the CAS registry number 831-13-0, has the systematic name and IUPAC name of cyclohex-3-en-1-yl(phenyl)methanol. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C13H16O.

The characteristics of Benzenemethanol, a-3-cyclohexen-1-yl- are as followings: (1)ACD/LogP: 3.11; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 9.23 Å2; (7)Index of Refraction: 1.571; (8)Molar Refractivity: 57.97 cm3; (9)Molar Volume: 176.3 cm3; (10)Polarizability: 22.98×10-24cm3; (11)Surface Tension: 45.5 dyne/cm; (12)Density: 1.067 g/cm3; (13)Flash Point: 125.3 °C; (14)Enthalpy of Vaporization: 56.71 kJ/mol; (15)Boiling Point: 297.2 °C at 760 mmHg; (16)Vapour Pressure: 0.000618 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OC(c1ccccc1)C2C/C=C\CC2
(2)InChI: InChI=1/C13H16O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-5,7-8,12-14H,6,9-10H2
(3)InChIKey: JDRIHMPNNKBFBP-UHFFFAOYAK