Keyword(s): Human Metabolites
Molecule Category Free-form
UNII O7056XK37X
EPA CompTox DTXSID0047618

Structure

InChI Key GAEKPEKOJKCEMS-UHFFFAOYSA-N
Smiles CC1CCC(=O)O1
InChI
InChI=1S/C5H8O2/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H8O2
Molecular Weight 100.05
AlogP 0.71
Hydrogen Bond Acceptor 2.0
Polar Surface Area 26.3
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 108-29-2
NORMAN SUSDAT
FDA SRS O7056XK37X
PubChem 7921
ChemSpider 7633.0