Keyword(s): Human Metabolites
Molecule Category Free-form
UNII UB69382H5J
EPA CompTox DTXSID3059769

Structure

InChI Key CENMEJUYOOMFFZ-UHFFFAOYSA-N
Smiles B1Oc2ccccc2O1
InChI
InChI=1S/C6H5BO2/c1-2-4-6-5(3-1)8-7-9-6/h1-4,7H

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H5B1O2
Molecular Weight 120.04
AlogP 0.72
Hydrogen Bond Acceptor 2.0
Polar Surface Area 18.46
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 274-07-7
NORMAN SUSDAT
FDA SRS UB69382H5J
PubChem 67506
ChemSpider 10617125.0