Keyword(s): Human Metabolites
Molecule Category Free-form
UNII CO48X7SUFH
EPA CompTox DTXSID60202169

Structure

InChI Key QVWDCTQRORVHHT-UHFFFAOYSA-N
Smiles O=C1C=CC=CC=C1
InChI
InChI=1/C7H6O/c8-7-5-3-1-2-4-6-7/h1-6H

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H6O
Molecular Weight 106.04
AlogP 1.05
Hydrogen Bond Acceptor 1.0
Polar Surface Area 17.07
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 539-80-0
NORMAN SUSDAT
FDA SRS CO48X7SUFH
PubChem 10881