Base information
| Cat. No. | |
| CAS No. | 82692-96-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H22NNaO7S |
| Molecular Weight | 347.36 |
| Exact Mass | 347.101 |
| XLogP3 | 1.3798 |
| Mr | 77.5038 |
| PSA | 116.74 |
| Sequence | - |
| Atom number | 44 |
| Bond number | 41 |
| Ring number | 1 |
| Rotor number | 7 |
| Residues number | 0 |
| Canonical smiles | CCN(c1cccc(c1)OC)CC(CS(=O)(=O)[O-])O.[Na+].O.O |
