Base information
| Cat. No. | |
| CAS No. | 216971-56-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C14H13ClNNaO7 |
| Molecular Weight | 365.698 |
| Exact Mass | 365.028 |
| XLogP3 | -1.2424 |
| Mr | 76.1216 |
| PSA | 135.07 |
| Sequence | - |
| Atom number | 37 |
| Bond number | 38 |
| Ring number | 3 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | [O-]C(=O)[C@H]1O[C@@H](Oc2c[nH]c3c2ccc(c3)Cl)[C@@H]([C@H]([C@@H]1O)O)O.[Na+] |
