Keyword(s): Human Metabolites
Molecule Category Free-form
UNII A9RLM212CY
EPA CompTox DTXSID7020267

Structure

InChI Key OMIDXVJKZCPKEI-UHFFFAOYSA-N
Smiles O=C1CC2CC1C3CCCC23
InChI
InChI=1S/C10H14O/c11-10-5-6-4-9(10)8-3-1-2-7(6)8/h6-9H,1-5H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H14O1
Molecular Weight 150.1
AlogP 2.01
Hydrogen Bond Acceptor 1.0
Polar Surface Area 17.07
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 57-74-9
NORMAN SUSDAT
FDA SRS A9RLM212CY
PubChem 96509
ChemSpider 87126.0