Base information
| Cat. No. | |
| CAS No. | 40567-80-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H20NNaO3S |
| Molecular Weight | 281.347 |
| Exact Mass | 281.106 |
| XLogP3 | 3.2925 |
| Mr | 71.6838 |
| PSA | 65.99 |
| Sequence | - |
| Atom number | 38 |
| Bond number | 37 |
| Ring number | 1 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | CCN(c1cccc(c1)C)CCCS(=O)(=O)O.[NaH] |
