Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID40369168

Structure

InChI Key LYLCSFCDRCQMOA-UHFFFAOYSA-N
Smiles CC1(CC(=O)OC1=C)C
InChI
InChI=1S/C7H10O2/c1-5-7(2,3)4-6(8)9-5/h1,4H2,2-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H10O2
Molecular Weight 126.07
AlogP 1.47
Hydrogen Bond Acceptor 2.0
Polar Surface Area 26.3
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 65371-43-9
NORMAN SUSDAT
PubChem 2724582
ChemSpider 2006710.0