Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 9V67DD44DS
EPA CompTox DTXSID0062509

Structure

InChI Key XJELOQYISYPGDX-UHFFFAOYSA-N
Smiles ClCC(=O)OC=C
InChI
InChI=1S/C4H5ClO2/c1-2-7-4(6)3-5/h2H,1,3H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H5Cl1O2
Molecular Weight 120.0
AlogP 0.91
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 26.3
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 2549-51-1
NORMAN SUSDAT
FDA SRS 9V67DD44DS
PubChem 82156
ChemSpider 74146.0