Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 98107S5K06
EPA CompTox DTXSID90191911

Structure

InChI Key LOGSONSNCYTHPS-UHFFFAOYSA-N
Smiles O=C1CCC(=O)C1
InChI
InChI=1S/C5H6O2/c6-4-1-2-5(7)3-4/h1-3H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H6O2
Molecular Weight 98.04
AlogP 0.31
Hydrogen Bond Acceptor 2.0
Polar Surface Area 34.14
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 3859-41-4
NORMAN SUSDAT
FDA SRS 98107S5K06
PubChem 77466
ChemSpider 69875.0