Base information
| Cat. No. | |
| CAS No. | 3478-15-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C21H26INO3 |
| Molecular Weight | 467.341 |
| Exact Mass | 467.096 |
| XLogP3 | -0.3311 |
| Mr | 116.455 |
| PSA | 46.53 |
| Sequence | - |
| Atom number | 52 |
| Bond number | 53 |
| Ring number | 3 |
| Rotor number | 7 |
| Residues number | 0 |
| Canonical smiles | O=C(C(c1ccccc1)(c1ccccc1)O)OCC[N+]1(C)CCCC1.[I-] |
