Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 9PW4P959GQ
EPA CompTox DTXSID1061154

Structure

InChI Key UIQGEWJEWJMQSL-UHFFFAOYSA-N
Smiles CC(C)(C)C(=O)C(C)(C)C
InChI
InChI=1S/C9H18O/c1-8(2,3)7(10)9(4,5)6/h1-6H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H18O1
Molecular Weight 142.14
AlogP 2.65
Hydrogen Bond Acceptor 1.0
Polar Surface Area 17.07
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 815-24-7
NORMAN SUSDAT
FDA SRS 9PW4P959GQ
PubChem 13152
ChemSpider 12600.0