Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID2052071

Structure

InChI Key QPOZUISHEWOWQL-UHFFFAOYSA-N
Smiles C=CCCCCCCC=O
InChI
InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h2,9H,1,3-8H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H16O1
Molecular Weight 140.12
AlogP 2.71
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 17.07
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 39770-04-2
NORMAN SUSDAT
PubChem 161998
ChemSpider 142279.0