Base information
| Cat. No. | |
| CAS No. | 79211-41-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H3I3O6 |
| Molecular Weight | 587.83 |
| Exact Mass | 587.706 |
| XLogP3 | 2.595 |
| Mr | 85.4709 |
| PSA | 111.9 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 21 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | OC(=O)c1c(I)c(C(=O)O)c(c(c1I)C(=O)O)I |
