Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Benzeneacetic acid, a-methoxy-, methyl ester |
EINECS | N/A |
CAS No. | 3558-61-0 | Density | 1.086 g/cm3 |
PSA | 35.53000 | LogP | 1.54710 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H12O3 | Boiling Point | 258 °C at 760 mmHg |
Molecular Weight | 180.203 | Flash Point | 88.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Aceticacid, methoxyphenyl-, methyl ester (6CI,7CI,8CI);Methyl2-methoxy-2-phenylacetate;Methyl o-methylmandelate;Methyl a-methoxyphenylacetate;NSC401792;a-Methoxyphenylacetic acid methylester;Methoxy-phenyl-acetic acid methyl e; ster;Methyl methoxy(phenyl)acetate; |
Article Data | 61 |
The Benzeneacetic acid, a-methoxy-, methyl ester, with the CAS registry number 3558-61-0, has the systematic name of methyl methoxy(phenyl)acetate. It is also called Methoxy-phenyl-acetic acid methyl ester. And the molecular formula of this chemical is C10H12O3.
The physical properties of Benzeneacetic acid, a-methoxy-, methyl ester are as following: (1)ACD/LogP: 2.27; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 35.53 Å2; (7)Index of Refraction: 1.497; (8)Molar Refractivity: 48.59 cm3; (9)Molar Volume: 165.8 cm3; (10)Polarizability: 19.26×10-24cm3; (11)Surface Tension: 36 dyne/cm; (12)Density: 1.086 g/cm3; (13)Flash Point: 88.3 °C; (14)Enthalpy of Vaporization: 49.56 kJ/mol; (15)Boiling Point: 258 °C at 760 mmHg; (16)Vapour Pressure: 0.014 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)C(OC)c1ccccc1
(2)InChI: InChI=1/C10H12O3/c1-12-9(10(11)13-2)8-6-4-3-5-7-8/h3-7,9H,1-2H3
(3)InChIKey: SMHXGVJSDWUGKC-UHFFFAOYAE