Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 76CA7XQ2LG
EPA CompTox DTXSID20187145

Structure

InChI Key BAUZLFKYYIVGPM-UHFFFAOYSA-N
Smiles O=C1CCCCCCCC1
InChI
InChI=1/C9H16O/c10-9-7-5-3-1-2-4-6-8-9/h1-8H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H16O
Molecular Weight 140.12
AlogP 2.69
Hydrogen Bond Acceptor 1.0
Polar Surface Area 17.07
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 3350-30-9
NORMAN SUSDAT
FDA SRS 76CA7XQ2LG
PubChem 76877