3-cyano-3-phenylpropanoic acid

3-cyano-3-phenylpropanoic acid

CAS: 14387-18-9

Formula: C10H9NO2

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

IUPAC: 3-cyano-3-phenylpropanoic acid

InChI: InChI=1/C10H9NO2/c11-7-9(6-10(12)13)8-4-2-1-3-5-8/h1-5,9H,6H2,(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	1
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	GMPNSKPTQXVWAF-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.19
Topological Polar Surface Area	61.09
Polarizability	18.05
Ring Count	1
Rotatable Bond Count	3

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