Base information
| Cat. No. | |
| CAS No. | 179528-45-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H7IO2S |
| Molecular Weight | 306.12 |
| Exact Mass | 305.921 |
| XLogP3 | 2.6465 |
| Mr | 63.7578 |
| PSA | 76.1 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 20 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | S/C(=C\c1ccc(cc1)I)/C(=O)O |
