Basic information
- CAS
20406-62-6- Standard SMILES
C=CCC(=O)C(=O)O- InChIKey
NOXRYJAWRSNUJD-UHFFFAOYSA-N- Molecular formula
- C5H6O3
- Average molar mass
- 114.1 g/mol
- Monoisotopic mass
- 114.03169405
Names & identifiers
- Preferred name
- 2-Oxo-4-pentenoic acid
- IUPAC
- 2-oxopent-4-enoic acid
- English name
- 2-keto-4-pentenoic acid
- Molecular formula
- C5H6O3
- Molecular weight
- 114.1
Names & synonyms
2-oxopent-4-enoic acid2-keto-4-pentenoic acid20406-62-64-Pentenoic acid, 2-oxo-2-oxo-4-pentenoic acid2-Oxopentenoic acidWW9JA557NYCHEBI:37318DTXSID20174358RefChem:910179DTXCID60968494-Pentenoic acid,2-oxo
Show more names
VINYLPYRUVIC ACIDUNII-WW9JA557NY2-OXOPENTA-4-ENOICSCHEMBL562764SCHEMBL6838931NOXRYJAWRSNUJD-UHFFFAOYSA-NAKOS006376660Q17071915
Database identifiers
- CAS
20406-62-6- PubChem CID
- 976
- DTXSID
DTXSID20174358- ChEBI
CHEBI:37318- UNII
- WW9JA557NY
- Nikkaji
- J609.508I
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 126
Physicochemical properties
- Boiling point
- 180 · 180.0±19.0 °C(Predicted)
- Density
- 1.165 · 1.165±0.06 g/cm3(Predicted)
- pka
- 2.53 · 2.53±0.54(Predicted)
- FDA UNII
- 9 JA557NY · WW9JA557NY
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers2 total
VGS SYNTHESIS PRIVATE LIMITED[email protected]
CHEMICAL LAND21[email protected]
Additional notes
DefinitionChEBI: 2-oxopent-4-enoic acid is a 2-oxo monocarboxylic acid. It is functionally related to a pent-4-enoic acid. It is a conjugate acid of a 2-oxopent-4-enoate. It is a tautomer of a 2-hydroxypenta-2,4-dienoic acid.
Related reactions
1 records
Compound notes
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