Keyword(s): Human Metabolites
Molecule Category Free-form
UNII C9JQ848XHS
EPA CompTox DTXSID90174128

Structure

InChI Key GOQIZPVZGYUGIA-UHFFFAOYSA-N
Smiles OC=1C=CC2=C(OC=3C=CC=CC32)C1
InChI
InChI=1/C12H8O2/c13-8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8/h1-7,13H

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H8O2
Molecular Weight 184.05
AlogP 3.29
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Polar Surface Area 33.37
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 20279-16-7
NORMAN SUSDAT
FDA SRS C9JQ848XHS
PubChem 88450