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Benzenepropanoic acid, 2-ethoxy-

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Name

Benzenepropanoic acid, 2-ethoxy-

EINECS N/A
CAS No. 220285-28-9 Density 1.116 g/cm3
PSA 46.53000 LogP 2.10250
Solubility N/A Melting Point 77-82℃
Formula C11H14O3 Boiling Point 319.1 °C at 760 mmHg
Molecular Weight 194.23 Flash Point 121.9 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 220285-28-9 (3-(2-ETHOXYPHENYL)PROPIONIC ACID) Hazard Symbols N/A
Synonyms

2-Ethoxybenzenepropanoic acid;

Article Data 3

Benzenepropanoic acid, 2-ethoxy- 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 

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