Keyword(s): Human Metabolites
Molecule Category Free-form
UNII O4QWF7V5AA
EPA CompTox DTXSID30227607

Structure

InChI Key KUIZKZHDMPERHR-UHFFFAOYSA-N
Smiles C=CC(=O)c1ccccc1
InChI
InChI=1S/C9H8O/c1-2-9(10)8-6-4-3-5-7-8/h2-7H,1H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H8O1
Molecular Weight 132.06
AlogP 2.06
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 17.07
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 768-03-6
NORMAN SUSDAT
FDA SRS O4QWF7V5AA
PubChem 13028
ChemSpider 12486.0