Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID9074357

Structure

InChI Key MTNZPWYMBRSDTL-UHFFFAOYSA-N
Smiles CC(=O)C1=C(C)C2=CC=CC=C2O1
InChI
InChI=1S/C11H10O2/c1-7-9-5-3-4-6-10(9)13-11(7)8(2)12/h3-6H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H10O2
Molecular Weight 174.07
AlogP 2.94
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 30.21
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 23911-56-0
NORMAN SUSDAT
PubChem 2507689
ChemSpider 1869668.0