Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 2N24CA5KGM
EPA CompTox DTXSID20200565

Structure

InChI Key POKCGQXKNIJLCR-UHFFFAOYSA-N
Smiles CC1=CCC(=O)CC1
InChI
InChI=1S/C7H10O/c1-6-2-4-7(8)5-3-6/h2H,3-5H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H10O1
Molecular Weight 110.07
AlogP 1.69
Hydrogen Bond Acceptor 1.0
Polar Surface Area 17.07
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 5259-65-4
NORMAN SUSDAT
FDA SRS 2N24CA5KGM
PubChem 78913
ChemSpider 71248.0