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352547-75-2

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Basic Information
CAS No.: 352547-75-2
Name: 2-(2-Oxocyclohexyl)-2-hydroxy-acetic acid methyl ester
Article Data: 2
Molecular Structure:
Molecular Structure of 352547-75-2 (2-(2-Oxocyclohexyl)-2-hydroxy-acetic acid methyl ester)
Formula: C9H14O4
Molecular Weight: 186.208
Synonyms: 2-(2-Oxocyclohexyl)-2-hydroxy-acetic acid methyl ester;
Density: 1.193g/cm3
Boiling Point: 308.4 °C at 760 mmHg
Flash Point: 120.9 °C
PSA: 63.60000
LogP: 0.27960
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Specification

The 2-(2-Oxocyclohexyl)-2-hydroxy-acetic acid methyl ester with the cas number 352547-75-2 is also called Cyclohexaneacetic acid,a-hydroxy-2-oxo-, methyl ester. The systematic name is methyl hydroxy(2-oxocyclohexyl)acetate. Its molecular formula is C9H14O4.

The properties of the chemical are: (1)ACD/LogP: -0.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.33; (4)ACD/LogD (pH 7.4): -0.33; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 15.67; (8)ACD/KOC (pH 7.4): 15.67; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 52.6 Å2; (13)Index of Refraction: 1.488; (14)Molar Refractivity: 44.97 cm3; (15)Molar Volume: 156 cm3; (16)Polarizability: 17.82×10-24cm3; (17)Surface Tension: 45.1 dyne/cm; (18)Enthalpy of Vaporization: 63.68 kJ/mol; (19)Vapour Pressure: 6.22×10-5 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1CCCCC1C(O)C(=O)OC
(2)InChI: InChI=1/C9H14O4/c1-13-9(12)8(11)6-4-2-3-5-7(6)10/h6,8,11H,2-5H2,1H3
(3)InChIKey: LUCPXGZDATXHHD-UHFFFAOYAR