Keyword(s): Human Metabolites
Molecule Category Free-form
UNII CZ2UC966BF
EPA CompTox DTXSID8059710

Structure

InChI Key KMRNTNDWADEIIX-UHFFFAOYSA-N
Smiles OC(=O)CCI
InChI
InChI=1S/C3H5IO2/c4-2-1-3(5)6/h1-2H2,(H,5,6)

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H5I1O2
Molecular Weight 199.93
AlogP 0.9
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 37.3
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 141-76-4
NORMAN SUSDAT
FDA SRS CZ2UC966BF
PubChem 8856
ChemSpider 8524.0