CAS No.42058-59-3,3-HYDROXYPHENYLACETIC ACID METHYL ESTER Suppliers

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Basic Information

Molecular Structure:
CAS No.:	42058-59-3
Name:	3-HYDROXYPHENYLACETIC ACID METHYL ESTER
Article Data:	64

Formula:	C₉H₁₀O₃
Molecular Weight:	166.177
Synonyms:	Methyl m-hydroxyphenylacetate;Methyl 3-hydroxyphenyl acetate;Methyl 2-(3-hydroxyphenyl)acetate;3-Hydroxyphenylaceticacidmethylester;
Density:	1.181 g/cm³
Boiling Point:	277.7 °C at 760 mmHg
Flash Point:	119.2 °C
Hazard Symbols:	Xn
Risk Codes:	22
PSA:	46.53000
LogP:	1.10770

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Specification

The Benzeneacetic acid, 3-hydroxy-, methyl ester, with the CAS registry number 42058-59-3, is also known as 3-Hydroxyphenylaceticacidmethylester. It belongs to the product category of Aromatic Esters. This chemical's molecular formula is C₉H₁₀O₃ and molecular weight is 166.17. What's more, its systematic name is methyl 2-(3-hydroxyphenyl)acetate.

Physical properties of Benzeneacetic acid, 3-hydroxy-, methyl ester are: (1)ACD/LogP: 1.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.23; (4)ACD/LogD (pH 7.4): 1.23; (5)ACD/BCF (pH 5.5): 5.06; (6)ACD/BCF (pH 7.4): 5.03; (7)ACD/KOC (pH 5.5): 111.14; (8)ACD/KOC (pH 7.4): 110.47; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.539; (14)Molar Refractivity: 44.09 cm³; (15)Molar Volume: 140.6 cm³; (16)Polarizability: 17.47×10^-24cm³; (17)Surface Tension: 44.5 dyne/cm; (18)Density: 1.181 g/cm³; (19)Flash Point: 119.2 °C; (20)Enthalpy of Vaporization: 53.7 kJ/mol; (21)Boiling Point: 277.7 °C at 760 mmHg; (22)Vapour Pressure: 0.00264 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC(=O)CC1=CC(=CC=C1)O
(2)InChI: InChI=1S/C9H10O3/c1-12-9(11)6-7-3-2-4-8(10)5-7/h2-5,10H,6H2,1H3
(3)InChIKey: AMDDOQIUPAINLH-UHFFFAOYSA-N