Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 7672CAR559
EPA CompTox DTXSID2051972

Structure

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

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H5Cl1O2
Molecular Weight 120.0
AlogP 1.55
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 2937-50-0
NORMAN SUSDAT
FDA SRS 7672CAR559
PubChem 18052
ChemSpider 17055.0