Keyword(s): Human Metabolites
Molecule Category Free-form
UNII HD0TIE091T
EPA CompTox DTXSID5051785

Structure

InChI Key ARGCQEVBJHPOGB-UHFFFAOYSA-N
Smiles C1OCC=C1
InChI
InChI=1S/C4H6O/c1-2-4-5-3-1/h1-2H,3-4H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H6O
Molecular Weight 70.04
AlogP 0.57
Hydrogen Bond Acceptor 1.0
Polar Surface Area 9.23
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 1708-29-8
NORMAN SUSDAT
FDA SRS HD0TIE091T
PubChem 15570
ChemSpider 14813.0