Base information
| Cat. No. | |
| CAS No. | 78812-64-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H7IO2 |
| Molecular Weight | 262.044 |
| Exact Mass | 261.949 |
| XLogP3 | 1.4662 |
| Mr | 50.5153 |
| PSA | 37.3 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 18 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | OCC(=O)c1ccc(cc1)I |
