Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 9Z68REL6UC
EPA CompTox DTXSID00166115

Structure

InChI Key OQBCJXUAQQMTRW-UHFFFAOYSA-N
Smiles CC(=O)C1(C)CC1
InChI
InChI=1S/C6H10O/c1-5(7)6(2)3-4-6/h3-4H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H10O1
Molecular Weight 98.07
AlogP 1.38
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 17.07
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 1567-75-5
NORMAN SUSDAT
FDA SRS 9Z68REL6UC
PubChem 74067
ChemSpider 66685.0