Products Categories
CAS No.: | 62769-42-0 |
---|---|
Name: | 3-Benzyloxyphenylacetic acid methyl ester |
Molecular Structure: | |
Formula: | C16H16O3 |
Molecular Weight: | 256.3 |
Synonyms: | Benzeneacetic acid, 3-(phenylmethoxy)-, methyl ester;Methyl [3-(benzyloxy)phenyl]acetate;Methyl 2-(3-phenylmethoxyphenyl)acetate; |
Density: | 1.129 g/cm3 |
Melting Point: | 34 °C |
Boiling Point: | 374.7 °C at 760 mmHg |
Flash Point: | 157.2 °C |
PSA: | 35.53000 |
LogP: | 2.98110 |
What can I do for you?
Get Best Price
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