Base information
| Cat. No. | |
| CAS No. | 133167-77-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H14NNaO6S |
| Molecular Weight | 323.297 |
| Exact Mass | 323.044 |
| XLogP3 | 1.9791 |
| Mr | 70.0341 |
| PSA | 120.98 |
| Sequence | - |
| Atom number | 35 |
| Bond number | 34 |
| Ring number | 1 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | COc1cc(NC(=O)CC(=O)C)c(c(c1)S(=O)(=O)[O-])C.[Na+] |
