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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