Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID40975445

Structure

InChI Key MSVYFKULKOQBHT-UHFFFAOYSA-N
Smiles OC1CC2C3CCC(C3)C2C1(O)O
InChI
InChI=1/C10H16O3/c11-8-4-7-5-1-2-6(3-5)9(7)10(8,12)13/h5-9,11-13H,1-4H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H16O3
Molecular Weight 184.11
AlogP 0.09
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Polar Surface Area 60.69
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 60015-25-0
NORMAN SUSDAT
PubChem 6453893