Keyword(s): Human Metabolites
Molecule Category Free-form
UNII T66S02B1S3
EPA CompTox DTXSID5075238

Structure

InChI Key JJKWHOSQTYYFAE-UHFFFAOYSA-N
Smiles COCC(=O)Cl
InChI
InChI=1S/C3H5ClO2/c1-6-2-3(4)5/h2H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H5Cl1O2
Molecular Weight 108.0
AlogP 0.4
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 26.3
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 38870-89-2
NORMAN SUSDAT
FDA SRS T66S02B1S3
PubChem 96623
ChemSpider 10588.0