3-Benzyloxyphenylacetic acid methyl ester supplier

Name
3-Benzyloxyphenylacetic acid methyl ester
EINECS
CAS No. 62769-42-0
Density 1.129 g/cm³
Solubility
Melting Point 34 °C
Formula C₁₆H₁₆O₃
Boiling Point 374.7 °C at 760 mmHg
Molecular Weight 256.3
Flash Point 157.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzeneacetic acid, 3-(phenylmethoxy)-, methyl ester;Methyl [3-(benzyloxy)phenyl]acetate;Methyl 2-(3-phenylmethoxyphenyl)acetate;
PSA 35.53000
LogP 2.98110

3-Benzyloxyphenylacetic acid methyl ester Specification

The 3-Benzyloxyphenylacetic acid methyl ester, with the CAS registry number 62769-42-0, is also known as Methyl [3-(benzyloxy)phenyl]acetate. This chemical's molecular formula is C₁₆H₁₆O₃ and molecular weight is 256.3. What's more, its IUPAC name is methyl 2-(3-phenylmethoxyphenyl)acetate.

Physical properties of 3-Benzyloxyphenylacetic acid methyl ester are: (1)ACD/LogP: 3.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.54; (4)ACD/LogD (pH 7.4): 3.54; (5)ACD/BCF (pH 5.5): 287; (6)ACD/BCF (pH 7.4): 287; (7)ACD/KOC (pH 5.5): 1999.69; (8)ACD/KOC (pH 7.4): 1999.69; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.559; (14)Molar Refractivity: 73.37 cm³; (15)Molar Volume: 226.9 cm³; (16)Polarizability: 29.08×10^-24cm³; (17)Surface Tension: 41.8 dyne/cm; (18)Density: 1.129 g/cm³; (19)Flash Point: 157.2 °C; (20)Enthalpy of Vaporization: 62.21 kJ/mol; (21)Boiling Point: 374.7 °C at 760 mmHg; (22)Vapour Pressure: 8.22E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC(=O)CC1=CC(=CC=C1)OCC2=CC=CC=C2
(2)InChI: InChI=1S/C16H16O3/c1-18-16(17)11-14-8-5-9-15(10-14)19-12-13-6-3-2-4-7-13/h2-10H,11-12H2,1H3
(3)InChIKey: PGBWCJFWJDBDOY-UHFFFAOYSA-N

Product Name

3-Benzyloxyphenylacetic acid methyl ester

3-Benzyloxyphenylacetic acid methyl ester Specification

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