3-Formylpyruvic acid
Basic information
- CAS
1069-50-7- Standard SMILES
O=CCC(=O)C(=O)O- InChIKey
YEZSWHPLZBZVLH-UHFFFAOYSA-N- Molecular formula
- C4H4O4
- Average molar mass
- 116.07 g/mol
- Monoisotopic mass
- 116.0109586
Overview
Formylpyruvate is an oxo carboxylic acid.
Names & identifiers
- Preferred name
- 3-Formylpyruvic acid
- IUPAC
- 2,4-dioxobutanoic acid
- English name
- 3-formylpyruvic acid
- Molecular formula
- C4H4O4
- Molecular weight
- 116.07
Names & synonyms
2,4-Dioxobutanoic acid3-Formylpyruvic acid1069-50-7DTXSID00147808RefChem:911335DTXCID4070299FormylpyruvateButanoic acid, 2,4-dioxo-3-Acylpyruvate2,4-DIoxo acidSCHEMBL463418CHEBI:5159
Show more names
SCHEMBL27412887AKOS006378669C02150Q27106669
Database identifiers
- CAS
1069-50-7- PubChem CID
- 150875
- DTXSID
DTXSID00147808- ChEBI
CHEBI:5159- Nikkaji
- J2.735.563C
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 71.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 126
Physicochemical properties
- Boiling point
- 223.9 · 223.9±23.0 °C(Predicted)
- Density
- 1.387 · 1.387±0.06 g/cm3(Predicted)
- pka
- 2.19 · 2.19±0.54(Predicted)
Chemistry & industry
Additional notes
DefinitionChEBI: Formylpyruvate is an oxo carboxylic acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…