Keyword(s): Human Metabolites
Molecule Category Free-form
UNII FCD0VD8ALF
EPA CompTox DTXSID9030258

Structure

InChI Key JWUJQDFVADABEY-UHFFFAOYSA-N
Smiles CC1CCCO1
InChI
InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H10O1
Molecular Weight 86.07
AlogP 1.19
Hydrogen Bond Acceptor 1.0
Polar Surface Area 9.23
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 96-47-9
NORMAN SUSDAT
FDA SRS FCD0VD8ALF
PubChem 7301
ChemSpider 7028.0