Molecule ID: 4807

IUPAC Name: phthalaldehyde

Description: The molecule is a dialdehyde in which two formyl groups are attached to adjacent carbon centres on a benzene ring. It has a role as an epitope. It is a dialdehyde and a member of benzaldehydes.

SMILES: O=Cc1ccccc1C=O

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

InChI: InChI=1S/C8H6O2/c9-5-7-3-1-2-4-8(7)6-10/h1-6H

Molecular Properties:
- Polar Surface Area: 34.1 Ų
- LogP: 1.2