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41150-46-3

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Basic Information
CAS No.: 41150-46-3
Name: 2-HYDROXYMETHYL-BENZOIC ACID METHYL ESTER
Article Data: 10
Molecular Structure:
Molecular Structure of 41150-46-3 (2-HYDROXYMETHYL-BENZOIC ACID METHYL ESTER)
Formula: C9H10O3
Molecular Weight: 166.177
Synonyms: 2-Methoxycarbonylbenzyl alcohol;o-(Methoxycarbonyl)benzyl alcohol;Methyl 2-(hydroxymethyl)benzoate;2-Hydroxymethyl-benzoic acid methyl ester;
Density: 1.177 g/cm3
Boiling Point: 302.251 °C at 760 mmHg
Flash Point: 133.143 °C
PSA: 46.53000
LogP: 0.96550
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Specification

The Benzoicacid, 2-(hydroxymethyl)-, methyl ester, with the CAS registry number 41150-46-3, is also known as 2-Hydroxymethyl-benzoic acid methyl ester. This chemical's molecular formula is C9H10O3 and molecular weight is 166.17. What's more, its systematic name is Methyl 2-(hydroxymethyl)benzoate and it belongs to the product category of Pharmacetical. 

Physical properties of Benzoicacid, 2-(hydroxymethyl)-, methyl ester are: (1)ACD/LogP: 0.89; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 46.53 Å2; (7)Index of Refraction: 1.543; (8)Molar Refractivity: 44.477 cm3; (9)Molar Volume: 141.143 cm3; (10)Polarizability: 17.632×10-24 cm3; (11)Surface Tension: 45.051 dyne/cm; (12)Density: 1.177 g/cm3; (13)Flash Point: 133.143 °C; (14)Enthalpy of Vaporization: 57.281 kJ/mol; (15)Boiling Point: 302.251 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1ccccc1CO
(2)InChI: InChI=1/C9H10O3/c1-12-9(11)8-5-3-2-4-7(8)6-10/h2-5,10H,6H2,1H3
(3)InChIKey: CPWIWKDXZSJHHG-UHFFFAOYSA-N