Keyword(s): Human Metabolites
Molecule Category Free-form
UNII Y89Q2P5GN4
EPA CompTox DTXSID00227694

Structure

InChI Key YOKZDALFYWMEHH-UHFFFAOYSA-N
Smiles O=C1CCC2=C1CCCCC2
InChI
InChI=1S/C10H14O/c11-10-7-6-8-4-2-1-3-5-9(8)10/h1-7H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H14O1
Molecular Weight 150.1
AlogP 2.61
Hydrogen Bond Acceptor 1.0
Polar Surface Area 17.07
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 769-32-4
NORMAN SUSDAT
FDA SRS Y89Q2P5GN4
PubChem 69857
ChemSpider 63053.0