Back
HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 976Generated: October 26, 2026

2-Oxo-4-pentenoic acid

2-Oxopentenoic acid · 2-oxopent-4-enoic acid · 2-keto-4-pentenoic acid · 4-Pentenoic acid, 2-oxo-

https://huagongshe.com/en/chemical/976

2-Oxo-4-pentenoic acid molecular structure

Identifiers & Physical Properties

CAS No.20406-62-6
Molecular formulaC5H6O3
Average molar mass114.1 g/mol
Monoisotopic mass114.03169405 g/mol
SMILESC=CCC(=O)C(=O)O
InChIKeyNOXRYJAWRSNUJD-UHFFFAOYSA-N
PubChem CID976
ChEBICHEBI:37318
DTXSIDDTXSID20174358

Chemical & Physical Properties

XLogP0.4
Topological polar surface area54.4
Hydrogen bond donors1
Hydrogen bond acceptors3
Rotatable bonds3
Heavy atoms8
Formal charge0
Complexity126
Boiling point180.0±19.0 °C(Predicted)
Density1.165±0.06 g/cm3(Predicted)
pKa (acidity coefficient)2.53±0.54(Predicted)
FDA UNIIWW9JA557NY