Back
HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 23Generated: October 27, 2026

2-Amino-3-(3-oxo-1-propen-1-yl)-2-butenedioic acid

2-amino-3-carboxymuconic acid semialdehyde · 2-amino-3-(3-oxoprop-1-enyl)but-2-enedioic acid · 2-Butenedioic acid, 2-amino-3-(3-oxo-1-propen-1-yl)-

https://huagongshe.com/en/chemical/23

2-Amino-3-(3-oxo-1-propen-1-yl)-2-butenedioic acid molecular structure

Identifiers & Physical Properties

CAS No.16597-58-3
Molecular formulaC7H7NO5
Average molar mass185.13 g/mol
Monoisotopic mass185.03242232 g/mol
SMILESNC(C(=O)O)=C(C=CC=O)C(=O)O
InChIKeyKACPVQQHDVBVFC-UHFFFAOYSA-N
PubChem CID23
DTXSIDDTXSID10274255

Chemical & Physical Properties

XLogP-0.5
Topological polar surface area118
Hydrogen bond donors3
Hydrogen bond acceptors6
Rotatable bonds4
Heavy atoms13
Formal charge0
Complexity302
Boiling point388.8±42.0 °C(Predicted)
Density1.527±0.06 g/cm3(Predicted)
pKa (acidity coefficient)3.12±0.44(Predicted)