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147578-43-6

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Basic Information
CAS No.: 147578-43-6
Name: Benzoic acid, 2-(2-methylpropoxy)-
Article Data: 6
Molecular Structure:
Molecular Structure of 147578-43-6 (Benzoic acid, 2-(2-methylpropoxy)-)
Formula: C11H14O3
Molecular Weight: 194.23
Synonyms: 2-Isobutoxybenzoic acid;
Density: 1.104 g/cm3
Boiling Point: 313.257 °C at 760 mmHg
Flash Point: 119.087 °C
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Specification

The Benzoic acid, 2-(2-methylpropoxy)-, with the CAS registry number 147578-43-6, is also known as 2-Isobutoxybenzoic acid. This chemical's molecular formula is C11H14O3 and molecular weight is 194.2271. What's more, its systematic name is called 2-(2-Methylpropoxy)benzoic acid.

Physical properties about Benzoic acid, 2-(2-methylpropoxy)- are: (1)ACD/LogP: 2.67; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 8; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 46.53 Å2; (12)Index of Refraction: 1.523; (13)Molar Refractivity: 53.719 cm3; (14)Molar Volume: 175.862 cm3; (15)Polarizability: 21.296×10-24 cm3; (16)Surface Tension: 40.195 dyne/cm; (17)Density: 1.104 g/cm3; (18)Flash Point: 119.087 °C; (19)Enthalpy of Vaporization: 58.526 kJ/mol; (20)Boiling Point: 313.257 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OC(=O)c1ccccc1OCC(C)C
(2) InChI: InChI=1/C11H14O3/c1-8(2)7-14-10-6-4-3-5-9(10)11(12)13/h3-6,8H,7H2,1-2H3,(H,12,13)
(3) InChIKey: SUSANQWSCSKXPF-UHFFFAOYAX