Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID8052439

Structure

InChI Key LLVFKEOMLYDSGT-FARCUNLSSA-N
Smiles CC=C1/CC2CC1C3CCC(=O)OC23
InChI
InChI=1S/C12H16O2/c1-2-7-5-8-6-10(7)9-3-4-11(13)14-12(8)9/h2,8-10,12H,3-6H2,1H3/b7-2+

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H16O2
Molecular Weight 192.12
AlogP 2.29
Hydrogen Bond Acceptor 2.0
Polar Surface Area 26.3
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 69486-14-2
NORMAN SUSDAT
PubChem 6437737
ChemSpider 4942265.0