Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 08T7N64Z04
EPA CompTox DTXSID7062902

Structure

InChI Key FCYRSDMGOLYDHL-UHFFFAOYSA-N
Smiles CCOCCl
InChI
InChI=1S/C3H7ClO/c1-2-5-3-4/h2-3H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H7Cl1O1
Molecular Weight 94.02
AlogP 1.22
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 9.23
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 3188-13-4
NORMAN SUSDAT
FDA SRS 08T7N64Z04
PubChem 18523
ChemSpider 17495.0