Base information
| Cat. No. | |
| CAS No. | 40145-10-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H13IO |
| Molecular Weight | 228.071 |
| Exact Mass | 228.001 |
| XLogP3 | 1.9741 |
| Mr | 45.0808 |
| PSA | 20.23 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 20 |
| Ring number | 0 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | OCCCCCCI |
