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Name |
Benzeneacetic acid, 3-hydroxy-, methyl ester |
EINECS | N/A |
CAS No. | 42058-59-3 | Density | 1.181 g/cm3 |
PSA | 46.53000 | LogP | 1.10770 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H10O3 | Boiling Point | 277.7 °C at 760 mmHg |
Molecular Weight | 166.177 | Flash Point | 119.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | 22 | |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
Methyl m-hydroxyphenylacetate;Methyl 3-hydroxyphenyl acetate;Methyl 2-(3-hydroxyphenyl)acetate;3-Hydroxyphenylaceticacidmethylester; |
Article Data | 64 |
The Benzeneacetic acid, 3-hydroxy-, methyl ester, with the CAS registry number 42058-59-3, is also known as 3-Hydroxyphenylaceticacidmethylester. It belongs to the product category of Aromatic Esters. This chemical's molecular formula is C9H10O3 and molecular weight is 166.17. What's more, its systematic name is methyl 2-(3-hydroxyphenyl)acetate.
Physical properties of Benzeneacetic acid, 3-hydroxy-, methyl ester are: (1)ACD/LogP: 1.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.23; (4)ACD/LogD (pH 7.4): 1.23; (5)ACD/BCF (pH 5.5): 5.06; (6)ACD/BCF (pH 7.4): 5.03; (7)ACD/KOC (pH 5.5): 111.14; (8)ACD/KOC (pH 7.4): 110.47; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.539; (14)Molar Refractivity: 44.09 cm3; (15)Molar Volume: 140.6 cm3; (16)Polarizability: 17.47×10-24cm3; (17)Surface Tension: 44.5 dyne/cm; (18)Density: 1.181 g/cm3; (19)Flash Point: 119.2 °C; (20)Enthalpy of Vaporization: 53.7 kJ/mol; (21)Boiling Point: 277.7 °C at 760 mmHg; (22)Vapour Pressure: 0.00264 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC(=O)CC1=CC(=CC=C1)O
(2)InChI: InChI=1S/C9H10O3/c1-12-9(11)6-7-3-2-4-8(10)5-7/h2-5,10H,6H2,1H3
(3)InChIKey: AMDDOQIUPAINLH-UHFFFAOYSA-N