Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 4AX0Q4B27P
EPA CompTox DTXSID4025450

Structure

InChI Key GLJRUXJFSCIQFV-UHFFFAOYNA-N
Smiles OCC(O)CI
InChI
InChI=1S/C3H7IO2/c4-1-3(6)2-5/h3,5-6H,1-2H2/t3-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H7I1O2
Molecular Weight 201.95
AlogP -0.23
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 40.46
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 554-10-9
NORMAN SUSDAT
FDA SRS 4AX0Q4B27P
ChemSpider 83173.0