Base information
| Cat. No. | |
| CAS No. | 1268684-41-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C5H5IN2O2 |
| Molecular Weight | 252.01 |
| Exact Mass | 251.94 |
| XLogP3 | 0.8009 |
| Mr | 42.5842 |
| PSA | 54.98 |
| Sequence | - |
| Atom number | 15 |
| Bond number | 15 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COC(=O)c1c[nH]nc1I |
