Keyword(s): Human Metabolites
Molecule Category Free-form
UNII Z5UJ5R2JVT
EPA CompTox DTXSID90181958

Structure

InChI Key JNNKWUPPLJTSSJ-UHFFFAOYSA-N
Smiles CC(=C)C(=O)OCCl
InChI
InChI=1S/C5H7ClO2/c1-4(2)5(7)8-3-6/h1,3H2,2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H7Cl1O2
Molecular Weight 134.01
AlogP 1.3
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 26.3
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 27550-73-8
NORMAN SUSDAT
FDA SRS Z5UJ5R2JVT
PubChem 3015384
ChemSpider 2283536.0