Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 9T71ZVB55P
EPA CompTox DTXSID9041994

Structure

InChI Key AZWKCIZRVUVZPX-UHFFFAOYSA-N
Smiles CC12CCCC(C)(OC1)O2
InChI
InChI=1S/C8H14O2/c1-7-4-3-5-8(2,10-7)9-6-7/h3-6H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H14O2
Molecular Weight 142.1
AlogP 1.69
Hydrogen Bond Acceptor 2.0
Polar Surface Area 18.46
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 28401-39-0
NORMAN SUSDAT
FDA SRS 9T71ZVB55P