Keyword(s): Human Metabolites
Molecule Category Free-form
UNII X9ZR7PV2QF
EPA CompTox DTXSID5060770

Structure

InChI Key MFFXVVHUKRKXCI-UHFFFAOYSA-N
Smiles CCOC(=O)CI
InChI
InChI=1S/C4H7IO2/c1-2-7-4(6)3-5/h2-3H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H7I1O2
Molecular Weight 213.95
AlogP 0.98
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 26.3
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 623-48-3
NORMAN SUSDAT
FDA SRS X9ZR7PV2QF
PubChem 12183
ChemSpider 11683.0