Basic information
- CAS
4374-46-3- Standard SMILES
CC(=O)C(=O)C(=O)O- InChIKey
WYIVDYGTKGEJLC-UHFFFAOYSA-N- Molecular formula
- C4H4O4
- Average molar mass
- 116.07 g/mol
- Monoisotopic mass
- 116.01095861
Names & identifiers
- Preferred name
- Dioxobutanoic acid
- IUPAC
- 2,3-dioxobutanoic acid
- English name
- Butanoic acid, 2,3-dioxo- (9CI)
- Molecular formula
- C4H4O4
- Molecular weight
- 116.07216
Names & synonyms
Dioxobutanoic acid2,3-dioxobutanoic acid4374-46-3SCHEMBL1333138DTXSID6021587WYIVDYGTKGEJLC-UHFFFAOYSA-NBUTANOIC ACID, 2,3-DIOXO-AKOS006377506DB-275172NS00126514Butanoic acid, 2,3-dioxo- (9CI)
Database identifiers
- CAS
4374-46-3- PubChem CID
- 3844764
- DTXSID
DTXSID6021587
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 71.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 146
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
1 records
Compound notes
Loading…