Keyword(s): Human Metabolites
Molecule Category Free-form
UNII QH80295937
EPA CompTox DTXSID8060113

Structure

InChI Key CGZZMOTZOONQIA-UHFFFAOYSA-N
Smiles O=C1CCCCCC1
InChI
InChI=1S/C7H12O/c8-7-5-3-1-2-4-6-7/h1-6H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H12O1
Molecular Weight 112.09
AlogP 1.91
Hydrogen Bond Acceptor 1.0
Polar Surface Area 17.07
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 502-42-1
NORMAN SUSDAT
FDA SRS QH80295937
PubChem 10400
ChemSpider 9971.0