Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID90186403

Structure

InChI Key YHGBBOXHHMFPBY-UHFFFAOYSA-N
Smiles COC(=C)CCl
InChI
InChI=1S/C4H7ClO/c1-4(3-5)6-2/h1,3H2,2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H7Cl1O1
Molecular Weight 106.02
AlogP 1.39
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 9.23
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 32730-64-6
NORMAN SUSDAT
PubChem 122938
ChemSpider 109583.0