Base information
| Cat. No. | |
| CAS No. | 52107-80-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H9IO |
| Molecular Weight | 260.072 |
| Exact Mass | 259.97 |
| XLogP3 | 2.8022 |
| Mr | 54.3195 |
| PSA | 17.07 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 20 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | CC(=O)c1ccc(c(c1)C)I |
