04E
Summary
Name: | iodoacetic acid |
Formula: | C2 H3 I O2 |
Formal charge: | 0 |
Formula weight: | 185.948 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | iodoacetic acid |
OpenEye OEToolkits | 1.7.6 | 2-iodanylethanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | ICC(=O)O |
InChI | InChI | 1.03 | InChI=1S/C2H3IO2/c3-1-2(4)5/h1H2,(H,4,5) |
InChIKey | InChI | 1.03 | JDNTWHVOXJZDSN-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)CI |
SMILES | CACTVS | 3.370 | OC(=O)CI |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C(C(=O)O)I |
SMILES | OpenEye OEToolkits | 1.7.6 | C(C(=O)O)I |