CAS No.70289-12-2,2-ETHOXYPHENYLACETIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	70289-12-2
Name:	2-ETHOXYPHENYLACETIC ACID
Article Data:	4

Formula:	C₁₀H₁₂O₃
Molecular Weight:	180.203
Synonyms:	NSC 165611;o-Ethoxyphenylacetic acid;2-Ethoxyphenylaceticacid;
Density:	1.144 g/cm³
Melting Point:	103-104 °C
Boiling Point:	305 °C at 760 mmHg
Flash Point:	119.3 °C
Risk Codes:	41
Safety:	26-39
PSA:	46.53000
LogP:	1.71240

Total:26 Page 1 of 1 1

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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