Keyword(s): Human Metabolites
Molecule Category Free-form
UNII YX9C3B7KVG
EPA CompTox DTXSID6062202

Structure

InChI Key AWKBVLVKQQRRFQ-UHFFFAOYSA-N
Smiles CC(=O)c1c(C)ccc(C)c1
InChI
InChI=1S/C10H12O/c1-7-4-5-8(2)10(6-7)9(3)11/h4-6H,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H12O1
Molecular Weight 148.09
AlogP 2.51
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 17.07
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 2142-73-6
NORMAN SUSDAT
FDA SRS YX9C3B7KVG
PubChem 75061
ChemSpider 67612.0