Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 6E43R2P5FT
EPA CompTox DTXSID10883962

Structure

InChI Key PSBABBDEUFNFKJ-UHFFFAOYSA-N
Smiles OC1C=CCC1
InChI
InChI=1/C5H8O/c6-5-3-1-2-4-5/h1,3,5-6H,2,4H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H8O
Molecular Weight 84.06
AlogP 0.7
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 20.23
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 3212-60-0
NORMAN SUSDAT
FDA SRS 6E43R2P5FT
PubChem 220164