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Methyl (2E)-3-cyclohexylprop-2-enoate

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Name

Methyl (2E)-3-cyclohexylprop-2-enoate

EINECS
CAS No. 26429-99-2 Density 1.036 g/cm3
Solubility Melting Point
Formula C10H16O2 Boiling Point 227.1 °C at 760 mmHg
Molecular Weight 168.24 Flash Point 103.2 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 26429-99-2 (2-Propenoic acid,3-cyclohexyl-, methyl ester, (2E)-) Hazard Symbols
Synonyms

2-Propenoic acid,3-cyclohexyl-, methyl ester, (E)-;Cyclohexaneacrylic acid, methyl ester, (E)-(8CI);Methyl (2E)-3-cyclohexylpropenoate;trans-b-Cyclohexylacrylic acid, methyl ester;

 

Methyl (2E)-3-cyclohexylprop-2-enoate Specification

The Methyl (2E)-3-cyclohexylprop-2-enoate with the cas number 26429-99-2, is also called Cyclohexaneacrylic acid methyl ester. Its molecular formula is C10H16O2. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 3.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.38; (4)ACD/LogD (pH 7.4): 3.38; (5)ACD/BCF (pH 5.5): 216.65; (6)ACD/BCF (pH 7.4): 216.65; (7)ACD/KOC (pH 5.5): 1635.12; (8)ACD/KOC (pH 7.4): 1635.12; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3Å2; (13)Index of Refraction: 1.525; (14)Molar Refractivity: 49.82 cm3; (15)Molar Volume: 162.3 cm3; (16)Polarizability: 19.75×10-24cm3; (17)Surface Tension: 35.9 dyne/cm; (18)Enthalpy of Vaporization: 46.36 kJ/mol; (19)Vapour Pressure: 0.0791 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)\C=C\C1CCCCC1
(2)InChI: InChI=1/C10H16O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h7-9H,2-6H2,1H3/b8-7+
(3)InChIKey: XKLAFWWDQPGTLE-BQYQJAHWBE

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