Base information
| Cat. No. | |
| CAS No. | 1261658-58-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H9IO2 |
| Molecular Weight | 276.071 |
| Exact Mass | 275.965 |
| XLogP3 | 2.5518 |
| Mr | 55.8913 |
| PSA | 37.3 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 21 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | CCc1cccc(c1C(=O)O)I |
