Base information
| Cat. No. | |
| CAS No. | 5731-12-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H9IO2 |
| Molecular Weight | 324.114 |
| Exact Mass | 323.965 |
| XLogP3 | 3.6564 |
| Mr | 71.5543 |
| PSA | 37.3 |
| Sequence | - |
| Atom number | 25 |
| Bond number | 26 |
| Ring number | 2 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | Ic1ccc(cc1)c1ccc(cc1)C(=O)O |
