Base information
| Cat. No. | |
| CAS No. | 83907-40-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H15NO4S |
| Molecular Weight | 281.328 |
| Exact Mass | 281.072 |
| XLogP3 | 2.152 |
| Mr | 72.3294 |
| PSA | 78.69 |
| Sequence | - |
| Atom number | 34 |
| Bond number | 35 |
| Ring number | 2 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | COc1ccc2c(c1)ccc[n+]2CCCS(=O)(=O)[O-] |
