Base information
| Cat. No. | |
| CAS No. | 71400-63-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C14H18INO5 |
| Molecular Weight | 407.201 |
| Exact Mass | 407.023 |
| XLogP3 | 2.9081 |
| Mr | 86.0825 |
| PSA | 95.86 |
| Sequence | - |
| Atom number | 39 |
| Bond number | 39 |
| Ring number | 1 |
| Rotor number | 7 |
| Residues number | 0 |
| Canonical smiles | O=C(OC(C)(C)C)N[C@H](C(=O)O)Cc1ccc(c(c1)I)O |
