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Benzenepropanoic acid,4-cyano- (42287-94-5)

Identification
Name:Benzenepropanoic acid,4-cyano-
Synonyms:3-(4-Cyanophenyl)propionicacid;3-(p-Cyanophenyl)propionic acid;4-(2-Carboxyethyl)benzonitrile;4-Cyanobenzenepropionic acid;4-Cyanohydrocinnamic acid;[p-Cyanophenyl]-3-propanoic acid;
CAS:42287-94-5
Molecular Formula: C10H9NO2
Molecular Weight: 175.18
InChI: InChI=1/C10H9NO2/c11-7-9-3-1-8(2-4-9)5-6-10(12)13/h1-4H,5-6H2,(H,12,13)
Molecular Structure: (C10H9NO2) 3-(4-Cyanophenyl)propionicacid;3-(p-Cyanophenyl)propionic acid;4-(2-Carboxyethyl)benzonitrile;4-Cyan...
Properties
Density:1.217 g/cm3
Refractive index:1.565
Specification:

The 3-(4-Cyanophenyl)propanoic acid with its cas register number is 42287-94-5. It also can be called as Benzenepropanoic acid,4-cyano- and the Systematic name about this chemical is 3-(4-cyanophenyl)propanoic acid.

Physical properties about 3-(4-Cyanophenyl)propanoic acid are: (1)ACD/LogP: 0.75; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 11; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 61.09Å2; (10)Index of Refraction: 1.565; (11)Molar Refractivity: 46.858 cm3; (12)Molar Volume: 143.945 cm3; (13)Polarizability: 18.576x10-24cm3; (14)Surface Tension: 55.922 dyne/cm; (15)Enthalpy of Vaporization: 64.169 kJ/mol

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1ccc(cc1)CCC(=O)O
(2)InChI: InChI=1/C10H9NO2/c11-7-9-3-1-8(2-4-9)5-6-10(12)13/h1-4H,5-6H2,(H,12,13)
(3)InChIKey: RHIGOXBTMPLABF-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C10H9NO2/c11-7-9-3-1-8(2-4-9)5-6-10(12)13/h1-4H,5-6H2,(H,12,13)
(5)Std. InChIKey: RHIGOXBTMPLABF-UHFFFAOYSA-N

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