Keyword(s): Human Metabolites
Molecule Category Free-form
UNII UJ7X07IM7Z
EPA CompTox DTXSID20148352

Structure

InChI Key CVQUWLDCFXOXEN-UHFFFAOYSA-N
Smiles O=c1ccocc1
InChI
InChI=1S/C5H4O2/c6-5-1-3-7-4-2-5/h1-4H

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H4O2
Molecular Weight 96.02
AlogP 0.64
Hydrogen Bond Acceptor 2.0
Polar Surface Area 30.21
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 108-97-4
NORMAN SUSDAT
FDA SRS UJ7X07IM7Z
PubChem 7968
ChemSpider 7680.0