Keyword(s): Human Metabolites
Molecule Category Free-form
UNII LK7FZ7X9DG
EPA CompTox DTXSID3062231

Structure

InChI Key NZPSDGIEKAQVEZ-UHFFFAOYSA-N
Smiles O=c1oc2c(o1)cccc2
InChI
InChI=1S/C7H4O3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H4O3
Molecular Weight 136.02
AlogP 1.39
Hydrogen Bond Acceptor 3.0
Polar Surface Area 43.35
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 2171-74-6
NORMAN SUSDAT
FDA SRS LK7FZ7X9DG
PubChem 75112
ChemSpider 67663.0