Base information
| Cat. No. | |
| CAS No. | 82692-97-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H20NNaO4S |
| Molecular Weight | 309.357 |
| Exact Mass | 309.101 |
| XLogP3 | 2.1166 |
| Mr | 74.8482 |
| PSA | 89.05 |
| Sequence | - |
| Atom number | 40 |
| Bond number | 39 |
| Ring number | 1 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | CCN(c1cc(C)cc(c1)C)CC(CS(=O)(=O)[O-])O.[Na+] |
