Base information
| Cat. No. | |
| CAS No. | 129833-31-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H9IO2 |
| Molecular Weight | 276.071 |
| Exact Mass | 275.965 |
| XLogP3 | 2.6062 |
| Mr | 56.0503 |
| PSA | 37.3 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 21 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | OC(=O)c1ccc(c(c1I)C)C |
