Name: 3-(2-ETHOXYPHENYL)PROPIONIC ACID
SKU: 220285-28-9

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Basic Information

Molecular Structure:
CAS No.:	220285-28-9
Name:	3-(2-ETHOXYPHENYL)PROPIONIC ACID
Article Data:	3

Formula:	C₁₁H₁₄O₃
Molecular Weight:	194.23
Synonyms:	2-Ethoxybenzenepropanoic acid;
Density:	1.116 g/cm³
Melting Point:	77-82℃
Boiling Point:	319.1 °C at 760 mmHg
Flash Point:	121.9 °C
PSA:	46.53000
LogP:	2.10250

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Specification

The Benzenepropanoic acid, 2-ethoxy-, with the CAS registry number of 220285-28-9, is also known as 2-Ethoxybenzenepropanoic acid. This chemical's molecular formula is C₁₁H₁₄O₃ and molecular weight is 194.0. What's more, its systematic name is 3-(2-Ethoxyphenyl)propanoic acid.

Physical properties about the Benzenepropanoic acid, 2-ethoxy- are: (1)ACD/LogP: 2.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.45; (4)ACD/LogD (pH 7.4): -0.35; (5)ACD/BCF (pH 5.5): 4.67; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 60.64; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.525; (14)Molar Refractivity: 53.31 cm³; (15)Molar Volume: 173.8 cm³; (16)Surface Tension: 41.7 dyne/cm; (17)Density: 1.116 g/cm³; (18)Flash Point: 121.9 °C; (19)Enthalpy of Vaporization: 59.19 kJ/mol; (20)Boiling Point: 319.1 °C at 760 mmHg; (21)Vapour Pressure: 0.000144 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)CCc1ccccc1OCC
(2) InChI: InChI=1/C11H14O3/c1-2-14-10-6-4-3-5-9(10)7-8-11(12)13/h3-6H,2,7-8H2,1H3,(H,12,13)
(3) InChIKey: IBGXZMNEERGARC-UHFFFAOYAB