Keyword(s): Human Metabolites
Molecule Category Free-form
UNII B6FM50XSNZ
EPA CompTox DTXSID50142924

Structure

InChI Key SIFBVNDLLGPEKT-UHFFFAOYSA-N
Smiles C=C1CCC(=O)O1
InChI
InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h1-3H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H6O2
Molecular Weight 98.04
AlogP 0.84
Hydrogen Bond Acceptor 2.0
Polar Surface Area 26.3
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 10008-73-8
NORMAN SUSDAT
FDA SRS B6FM50XSNZ
PubChem 66201
ChemSpider 59586.0