Keyword(s): Human Metabolites
Molecule Category Free-form
UNII P054EQ880I
EPA CompTox DTXSID80239235

Structure

InChI Key MCFZBCCYOPSZLG-UHFFFAOYSA-N
Smiles O=C1CC(=O)C=C1
InChI
InChI=1S/C5H4O2/c6-4-1-2-5(7)3-4/h1-2H,3H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H4O2
Molecular Weight 96.02
AlogP 0.08
Hydrogen Bond Acceptor 2.0
Polar Surface Area 34.14
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 930-60-9
NORMAN SUSDAT
FDA SRS P054EQ880I
PubChem 70258
ChemSpider 63443.0