Keyword(s): Human Metabolites
Molecule Category Free-form
UNII HSB7MR0EI0
EPA CompTox DTXSID9059127

Structure

InChI Key CXJAFLQWMOMYOW-UHFFFAOYSA-N
Smiles ClC1=CC(=O)OC1=O
InChI
InChI=1S/C4HClO3/c5-2-1-3(6)8-4(2)7/h1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H1Cl1O3
Molecular Weight 131.96
AlogP 0.19
Hydrogen Bond Acceptor 3.0
Polar Surface Area 43.37
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 96-02-6
NORMAN SUSDAT
FDA SRS HSB7MR0EI0
PubChem 66772
ChemSpider 60138.0