Molecule ID: 12581

IUPAC Name: 3-phenylpropanenitrile

Description: The molecule is a nitrile that is propionitrile in which one of the methyl hydrogens has been replaced by a phenyl group. It is a nitrile and a member of benzenes. It derives from an acetonitrile.

SMILES: N#CCCc1ccccc1

SELFIES: [N][#C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]

InChI: InChI=1S/C9H9N/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7H2

Molecular Properties:
- Polar Surface Area: 23.8 Ų
- LogP: 1.7