Base information
| Cat. No. | |
| CAS No. | 1579942-28-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H16INO3 |
| Molecular Weight | 349.165 |
| Exact Mass | 349.017 |
| XLogP3 | 2.5452 |
| Mr | 74.5702 |
| PSA | 72.55 |
| Sequence | - |
| Atom number | 33 |
| Bond number | 33 |
| Ring number | 1 |
| Rotor number | 7 |
| Residues number | 0 |
| Canonical smiles | ICCCOc1ccc(cc1)C[C@@H](C(=O)O)N |
