Base information
| Cat. No. | |
| CAS No. | 1227611-94-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H11IN2O |
| Molecular Weight | 290.101 |
| Exact Mass | 289.992 |
| XLogP3 | 2.1719 |
| Mr | 58.327 |
| PSA | 34.89 |
| Sequence | - |
| Atom number | 24 |
| Bond number | 25 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | O=C1CCC(CC1)n1ncc(c1)I |
