Base information
| Cat. No. | |
| CAS No. | 7246-21-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C15H17I3NNaO3 |
| Molecular Weight | 663.004 |
| Exact Mass | 662.824 |
| XLogP3 | 3.6306 |
| Mr | 112.543 |
| PSA | 69.23 |
| Sequence | - |
| Atom number | 40 |
| Bond number | 39 |
| Ring number | 1 |
| Rotor number | 8 |
| Residues number | 0 |
| Canonical smiles | CCCC(=O)Nc1c(I)cc(c(c1I)CC(C(=O)[O-])CC)I.[Na+] |
