Base information
| Cat. No. | |
| CAS No. | 1369205-80-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H16O4S |
| Molecular Weight | 304.361 |
| Exact Mass | 304.077 |
| XLogP3 | 4.4362 |
| Mr | 80.7095 |
| PSA | 68.82 |
| Sequence | - |
| Atom number | 37 |
| Bond number | 38 |
| Ring number | 2 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | CCC(=O)c1cccc(c1)OS(=O)(=O)c1ccc(cc1)C |
