Structure via PubChem · Public domain (PubChem)
3-oxobutanoic acid
Sign in to saveAlso known as 3-ketobutanoic acid, 3-Ketobutyric acid, 3-Oxo-butanoic acid, Acetoacetate, 3-Ketobutyrate, 3-Oxo-butanoate, Diacetic acid, 3-Oxobutyrate
chemical compound
Chemical data
- Formula
- C4H6O3
- Molecular weight
- 102.09 g/mol
- IUPAC name
- 3-oxobutanoic acid
- SMILES
- CC(=O)CC(=O)O
- InChIKey
- WDJHALXBUFZDSR-UHFFFAOYSA-N
- XLogP
- -0.4
- Polar surface area
- 54.4 Ų
- H-bond donors
- 1
- H-bond acceptors
- 3
- Formal charge
- 0
via PubChem
Drug data · ChEMBL
- Molecule type
- Small molecule
via ChEMBL · EBI
Wikidata facts
- Subclass of
- short-chain fatty acid
- Has part
- carbon
- Mass
- 102.032
Show 6 more facts
- found in taxon
- Homo sapiens
- canonical SMILES
- CC(=O)CC(=O)O
- chemical formula
- C₄H₆O₃
- pKa
- 3.58
- Commons category
- Acetoacetic acid
- subject has role
- primary metabolite
via Wikidata · CC0