Methyl 2-(2-formylphenyl)acetate supplier

Name
methyl 2-(2-formylphenyl)acetate
EINECS
CAS No. 63969-83-5
Article Data6
CAS DataBase
Density 1.157 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₀O₃
Boiling Point 273.9 °C at 760 mmHg
Molecular Weight 178.188
Flash Point 117.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methyl(2-formylphenyl)acetate;Methyl (o-formylphenyl)acetate;methyl (2-formylphenyl)acetate;
PSA 43.37000
LogP 1.21460

Methyl 2-(2-formylphenyl)acetate 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

Product Name

methyl 2-(2-formylphenyl)acetate

Methyl 2-(2-formylphenyl)acetate Specification

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