Base information
| Cat. No. | |
| CAS No. | 21120-76-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C14H11IO3 |
| Molecular Weight | 354.14 |
| Exact Mass | 353.975 |
| XLogP3 | 3.8701 |
| Mr | 76.9545 |
| PSA | 35.53 |
| Sequence | - |
| Atom number | 29 |
| Bond number | 30 |
| Ring number | 2 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | COC(=O)c1ccc(cc1)Oc1ccc(cc1)I |
