Keyword(s): Human Metabolites
Molecule Category Free-form
UNII V54Y1GAG9I
EPA CompTox DTXSID2059279

Structure

InChI Key UHBZEAPZATVYKV-UHFFFAOYSA-N
Smiles CC(=O)CC1CCCCC1
InChI
InChI=1S/C9H16O/c1-8(10)7-9-5-3-2-4-6-9/h9H,2-7H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H16O1
Molecular Weight 140.12
AlogP 2.55
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 17.07
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 103-78-6
NORMAN SUSDAT
FDA SRS V54Y1GAG9I
PubChem 66899
ChemSpider 60261.0