Name: 2-(3-methoxyphenyl)-2-methylpropanoic acid
SKU: 17653-94-0

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Basic Information

Molecular Structure:
CAS No.:	17653-94-0
Name:	2-(3-methoxyphenyl)-2-methylpropanoic acid
Article Data:	12

Formula:	C₁₁H₁₄O₃
Molecular Weight:	194.23
Synonyms:	2-(3-Methoxyphenyl)-2-methylpropionic acid;2-(3-Methoxyphenyl)-2-methylpropanoic acid;Hydratropic acid,m-methoxy-a-methyl- (6CI,8CI);Benzeneaceticacid, a,a-dimethyl-3-methoxy- (9CI);
Density:	1.111 g/cm³
Boiling Point:	312.988 °C at 760 mmHg
Flash Point:	118.958 °C
PSA:	46.53000
LogP:	2.05740

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Specification

The Benzeneacetic acid, 3-methoxy-a, a-dimethyl-, with the CAS registry number 17653-94-0, is also known as Hydratropic acid, m-methoxy-a-methyl- (6CI, 8CI). It belongs to the product categories of Carboxylic Acids; Phenyls & Phenyl-Het; Carboxylic Acids; Phenyls & Phenyl-Het. This chemical's molecular formula is C₁₁H₁₄O₃ and molecular weight is 194.2271. What's more, its systematic name is 2-(3-Methoxyphenyl)-2-methylpropanoic acid.

Physical properties about Benzeneacetic acid, 3-methoxy-a, a-dimethyl- are: (1)ACD/LogP: 2.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): -1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 20; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 46.53 Å²; (13)Index of Refraction: 1.517; (14)Molar Refractivity: 52.883 cm³; (15)Molar Volume: 174.749 cm³; (16)Polarizability: 20.964×10^-24 cm³; (17)Surface Tension: 37.967 dyne/cm; (18)Density: 1.111 g/cm³; (19)Flash Point: 118.958 °C; (20)Enthalpy of Vaporization: 58.495 kJ/mol; (21)Boiling Point: 312.988 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)C(c1cc(OC)ccc1)(C)C
(2) InChI: InChI=1/C11H14O3/c1-11(2,10(12)13)8-5-4-6-9(7-8)14-3/h4-7H,1-3H3,(H,12,13)
(3) InChIKey: AJBGTOYTKPVUPX-UHFFFAOYAR