Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 8KXK25H388
EPA CompTox DTXSID7075422

Structure

InChI Key VIHAEDVKXSOUAT-UHFFFAOYSA-N
Smiles O=C1OCC=C1
InChI
InChI=1S/C4H4O2/c5-4-2-1-3-6-4/h1-2H,3H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H4O2
Molecular Weight 84.02
AlogP 0.1
Hydrogen Bond Acceptor 2.0
Polar Surface Area 26.3
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 497-23-4
NORMAN SUSDAT
FDA SRS 8KXK25H388
PubChem 10341
ChemSpider 9917.0