Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 8J0G2X46R7
EPA CompTox DTXSID7060091

Structure

InChI Key VEYIMQVTPXPUHA-UHFFFAOYSA-N
Smiles Oc1coccc1=O
InChI
InChI=1S/C5H4O3/c6-4-1-2-8-3-5(4)7/h1-3,7H

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H4O3
Molecular Weight 112.02
AlogP 0.35
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Polar Surface Area 50.44
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 496-63-9
NORMAN SUSDAT
FDA SRS 8J0G2X46R7
PubChem 68129
ChemSpider 61437.0