Keyword(s): Human Metabolites
Molecule Category Free-form
UNII I3703CL967
EPA CompTox DTXSID9047677

Structure

InChI Key FCWYQRVIQDNGBI-UHFFFAOYNA-N
Smiles CC1OCCC1=O
InChI
InChI=1S/C5H8O2/c1-4-5(6)2-3-7-4/h4H,2-3H2,1H3/t4-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H8O2
Molecular Weight 100.05
AlogP 0.36
Hydrogen Bond Acceptor 2.0
Polar Surface Area 26.3
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 3188-00-9
NORMAN SUSDAT
FDA SRS I3703CL967
ChemSpider 17494.0