Molecule ID: 5459844

IUPAC Name: 3,5-dioxohexanoic acid

Description: The molecule is a dioxo monocarboxylic acid comprising hexanoic acid with the two oxo groups placed at the 3- and 5-positions. It is a dioxo monocarboxylic acid and a beta-diketone. It is a conjugate acid of a triacetate(1-).

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

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

InChI: InChI=1S/C6H8O4/c1-4(7)2-5(8)3-6(9)10/h2-3H2,1H3,(H,9,10)

Molecular Properties:
- Polar Surface Area: 71.4 Ų
- LogP: -0.5