Keyword(s): Human Metabolites
Molecule Category Free-form
UNII K9L7HKC6PT
EPA CompTox DTXSID4060993

Structure

InChI Key CVUNPKSKGHPMSY-UHFFFAOYSA-N
Smiles CCOC(=O)C(=C)Cl
InChI
InChI=1S/C5H7ClO2/c1-3-8-5(7)4(2)6/h2-3H2,1H3

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 687-46-7
NORMAN SUSDAT
FDA SRS K9L7HKC6PT
PubChem 12708
ChemSpider 12186.0