Molecule ID: 177

IUPAC Name: acetaldehyde

Description: The molecule is the aldehyde formed from acetic acid by reduction of the carboxy group. It is the most abundant carcinogen in tobacco smoke. It has a role as a human metabolite, an EC 3.5.1.4 (amidase) inhibitor, a carcinogenic agent, a mutagen, a teratogenic agent, an oxidising agent, an electron acceptor, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a mouse metabolite.

SMILES: CC=O

SELFIES: [C][C][=O]

InChI: InChI=1S/C2H4O/c1-2-3/h2H,1H3

Molecular Properties:
- Polar Surface Area: 17.1 Ų
- LogP: -0.3