Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Methyl 2-(2-formylphenyl)acetate |
EINECS | N/A |
CAS No. | 63969-83-5 | Density | 1.157 g/cm3 |
PSA | 43.37000 | LogP | 1.21460 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H10O3 | Boiling Point | 273.9 °C at 760 mmHg |
Molecular Weight | 178.188 | Flash Point | 117.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Methyl(2-formylphenyl)acetate;Methyl (o-formylphenyl)acetate;methyl (2-formylphenyl)acetate; |
Article Data | 6 |
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