Base information
| Cat. No. | |
| CAS No. | 72705-22-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H18N2O6S |
| Molecular Weight | 318.346 |
| Exact Mass | 318.089 |
| XLogP3 | 2.3553 |
| Mr | 76.0189 |
| PSA | 120.98 |
| Sequence | - |
| Atom number | 39 |
| Bond number | 38 |
| Ring number | 1 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | COc1cc(c(cc1NC(=O)CC(=O)C)C)S(=O)(=O)[O-].[NH4+] |
