Molecule ID: 7707

IUPAC Name: 3-phenylpropanal

Description: The molecule is a benzene which is substituted by a 3-oxopropyl group at position 1. It has a role as a flavouring agent and a plant metabolite. It is an aldehyde and a member of benzenes. It derives from a benzene.

SMILES: O=CCCc1ccccc1

SELFIES: [O][=C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]

InChI: InChI=1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,8H,4,7H2

Molecular Properties:
- Polar Surface Area: 17.1 Ų
- LogP: 1.3