Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 0DZ97C3Z7D
EPA CompTox DTXSID9027289

Structure

InChI Key WASQWSOJHCZDFK-UHFFFAOYSA-N
Smiles C=C1CC(=O)O1
InChI
InChI=1S/C4H4O2/c1-3-2-4(5)6-3/h1-2H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H4O2
Molecular Weight 84.02
AlogP 0.45
Hydrogen Bond Acceptor 2.0
Polar Surface Area 26.3
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 674-82-8
NORMAN SUSDAT
FDA SRS 0DZ97C3Z7D
PubChem 12661
ChemSpider 12140.0