Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID60199666

Structure

InChI Key HAFQHNGZPQYKFF-UHFFFAOYSA-N
Smiles O=C1CC2CC(=O)CC2C1
InChI
InChI=1S/C8H10O2/c9-7-1-5-2-8(10)4-6(5)3-7/h5-6H,1-4H2/t5-,6-

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H10O2
Molecular Weight 138.07
AlogP 0.94
Hydrogen Bond Acceptor 2.0
Polar Surface Area 34.14
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 51716-63-3
NORMAN SUSDAT
PubChem 103526
ChemSpider 93467.0