Base information
| Cat. No. | |
| CAS No. | 118546-18-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C14H17IO3 |
| Molecular Weight | 360.187 |
| Exact Mass | 360.022 |
| XLogP3 | 3.2647 |
| Mr | 77.9915 |
| PSA | 35.53 |
| Sequence | - |
| Atom number | 35 |
| Bond number | 36 |
| Ring number | 2 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | CCCC1(COC(=O)c2ccc(cc2)I)COC1 |
