Keyword(s): Human Metabolites
Molecule Category Free-form
UNII FGQ92KB360
EPA CompTox DTXSID70149910

Structure

InChI Key BIPUHAHGLJKIPK-UHFFFAOYSA-N
Smiles O=C(C1CC1)C1CC1
InChI
InChI=1S/C7H10O/c8-7(5-1-2-5)6-3-4-6/h5-6H,1-4H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H10O1
Molecular Weight 110.07
AlogP 1.38
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 17.07
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 1121-37-5
NORMAN SUSDAT
FDA SRS FGQ92KB360
PubChem 70721
ChemSpider 63886.0