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 |
