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Benzeneacetic acid,2-ethoxy-

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Name

Benzeneacetic acid,2-ethoxy-

EINECS N/A
CAS No. 70289-12-2 Density 1.144 g/cm3
PSA 46.53000 LogP 1.71240
Solubility N/A Melting Point 103-104 °C
Formula C10H12O3 Boiling Point 305 °C at 760 mmHg
Molecular Weight 180.203 Flash Point 119.3 °C
Transport Information N/A Appearance N/A
Safety 26-39 Risk Codes 41
Molecular Structure Molecular Structure of 70289-12-2 (2-ETHOXYPHENYLACETIC ACID) Hazard Symbols N/A
Synonyms

NSC 165611;o-Ethoxyphenylacetic acid;2-Ethoxyphenylaceticacid;

Article Data 4

Benzeneacetic acid,2-ethoxy- Specification

The Benzeneacetic acid, 2-ethoxy-, with the CAS registry number of 70289-12-2, is also known as (2-Ethoxyphenyl)acetic acid. It belongs to the product category of Aromatic Phenylacetic Acids and Derivatives. This chemical's molecular formula is C10H12O3 and molecular weight is 180.2. What's more, its IUPAC name is 2-(2-Ethoxyphenyl)acetic acid.

Physical properties about Benzeneacetic acid, 2-ethoxy- are: (1)ACD/LogP: 1.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.59; (4)ACD/LogD (pH 7.4): -1.18; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 11.85; (8)ACD/KOC (pH 7.4): 1; (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: 1.53; (14)Molar Refractivity: 48.67 cm3; (15)Molar Volume: 157.3 cm3; (16)Surface Tension: 42.6 dyne/cm; (17)Density: 1.144 g/cm3; (18)Flash Point: 119.3 °C; (19)Enthalpy of Vaporization: 57.59 kJ/mol; (20)Boiling Point: 305 °C at 760 mmHg; (21)Vapour Pressure: 0.00037 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)Cc1ccccc1OCC
(2) InChI: InChI=1/C10H12O3/c1-2-13-9-6-4-3-5-8(9)7-10(11)12/h3-6H,2,7H2,1H3,(H,11,12)
(3) InChIKey: ABROWERIMKBDEW-UHFFFAOYAK

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