Keyword(s): Human Metabolites
Molecule Category Free-form
UNII LYG4R75QTP
EPA CompTox DTXSID60945367

Structure

InChI Key AQLGQCKMZPKPBC-UHFFFAOYSA-N
Smiles O1C=CC(C)CC1
InChI
InChI=1/C6H10O/c1-6-2-4-7-5-3-6/h2,4,6H,3,5H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H10O
Molecular Weight 98.07
AlogP 1.56
Hydrogen Bond Acceptor 1.0
Polar Surface Area 9.23
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 2270-61-3
NORMAN SUSDAT
FDA SRS LYG4R75QTP
PubChem 102776