3-(3-cyanophenyl)propanoic acid

3-(3-cyanophenyl)propanoic acid

CAS: 42287-97-8

Formula: C10H9NO2

SMILES: OC(=O)CCC1=CC(=CC=C1)C#N

IUPAC: 3-(3-cyanophenyl)propanoic acid

InChI: InChI=1S/C10H9NO2/c11-7-9-3-1-2-8(6-9)4-5-10(12)13/h1-3,6H,4-5H2,(H,12,13)

Composition: C (68.56%), H (5.18%), N (8.00%), O (18.27%)

Molar Mass: 175.187

Atom Count: 22

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	175.063328534
Formal Charge	0
FSP3	0.2
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	GZVGDSHPRRFWFQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.69
Topological Polar Surface Area	61.09
Polarizability	18.2
Ring Count	1
Rotatable Bond Count	3

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