Molecule ID: 650

IUPAC Name: butane-2,3-dione

Description: The molecule is an alpha-diketone that is butane substituted by oxo groups at positions 2 and 3. It is a metabolite produced during the malolactic fermentation. It has a role as a Saccharomyces cerevisiae metabolite and an Escherichia coli metabolite.

SMILES: CC(=O)C(C)=O

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

InChI: InChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3

Molecular Properties:
- Polar Surface Area: 34.1 Ų
- LogP: -1.3