Keyword(s): Human Metabolites
Molecule Category Free-form
UNII S8B2T78QGR
EPA CompTox DTXSID3063598

Structure

InChI Key OWZFULPEVHKEKS-UHFFFAOYSA-N
Smiles CCOC(=O)C(=O)Cl
InChI
InChI=1S/C4H5ClO3/c1-2-8-4(7)3(5)6/h2H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H5Cl1O3
Molecular Weight 135.99
AlogP 0.31
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 43.37
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 4755-77-5
NORMAN SUSDAT
FDA SRS S8B2T78QGR
PubChem 20884
ChemSpider 19653.0