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63969-83-5

Basic Information
CAS No.: 63969-83-5
Name: methyl 2-(2-formylphenyl)acetate
Article Data: 6
Molecular Structure:
Molecular Structure of 63969-83-5 (methyl 2-(2-formylphenyl)acetate)
Formula: C10H10O3
Molecular Weight: 178.188
Synonyms: Methyl(2-formylphenyl)acetate;Methyl (o-formylphenyl)acetate;methyl (2-formylphenyl)acetate;
Density: 1.157 g/cm3
Boiling Point: 273.9 °C at 760 mmHg
Flash Point: 117.5 °C
PSA: 43.37000
LogP: 1.21460
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    Debyesci is here who supplied several kinds of chemical products to global pharmaceutical, drug discovery, agrochemical and biotechnology industries for four years Our key scienti

  • Debye Scientific

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  • Methyl 2-(2-forMylphenyl)acetate

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    63969-83-5

    Methyl 2-(2-forMylphenyl)acetate

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    High quality Application:Pharmaceutial

    Chamflyer Chemicals Co.Ltd is a fine organics manufacturing facility which located in Shanghai. We produce a wide range of boronic acids, pyridines, quinolines, indoles, oxazoles,

  • Shanghai chamflyer chemicals Co., Ltd

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    Business Type:Lab/Research institutions

    Tel:+86-21-60545191

    Address:No 38 Debao Road, Pudong New District, Shanghai

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Specification

The Methyl 2-(2-formylphenyl)acetate, with the CAS registry number 63969-83-5, has the systematic name of methyl (2-formylphenyl)acetate. It is also called benzeneacetic acid, 2-formyl-, methyl ester. And the molecular formula of the chemical is C10H10O3.

The characteristics of Methyl 2-(2-formylphenyl)acetate are as followings: (1)ACD/LogP: 1.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.39; (4)ACD/LogD (pH 7.4): 1.39; (5)ACD/BCF (pH 5.5): 6.68; (6)ACD/BCF (pH 7.4): 6.68; (7)ACD/KOC (pH 5.5): 135.48; (8)ACD/KOC (pH 7.4): 135.48; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 43.37 Å2; (13)Index of Refraction: 1.549; (14)Molar Refractivity: 48.96 cm3; (15)Molar Volume: 153.9 cm3; (16)Polarizability: 19.41×10-24cm3; (17)Surface Tension: 42.7 dyne/cm; (18)Density: 1.157 g/cm3; (19)Flash Point: 117.5 °C; (20)Enthalpy of Vaporization: 51.22 kJ/mol; (21)Boiling Point: 273.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00559 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(Cc1ccccc1C=O)OC
(2)InChI: InChI=1/C10H10O3/c1-13-10(12)6-8-4-2-3-5-9(8)7-11/h2-5,7H,6H2,1H3
(3)InChIKey: HGYCMAAUZWDACG-UHFFFAOYAK