Molecule ID: 115084

IUPAC Name: 4-oxo-4-pyridin-3-ylbutanal

Description: The molecule is a member of the class of butanals that is succinic semialdehyde in which the hydroxy group of the carboxylic acid function is replaced by a pyridin-3-yl group. It is a member of butanals, a member of pyridines and an aromatic ketone.

SMILES: O=CCCC(=O)c1cccnc1

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

InChI: InChI=1S/C9H9NO2/c11-6-2-4-9(12)8-3-1-5-10-7-8/h1,3,5-7H,2,4H2

Molecular Properties:
- Polar Surface Area: 47.0 Ų
- LogP: -0.2