Base information
| Cat. No. | |
| CAS No. | 89772-41-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H14NNaO9 |
| Molecular Weight | 339.231 |
| Exact Mass | 339.057 |
| XLogP3 | -0.4985 |
| Mr | 71.1312 |
| PSA | 162.27 |
| Sequence | - |
| Atom number | 37 |
| Bond number | 37 |
| Ring number | 2 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | OC(=O)[C@H]1O[C@@H](Oc2ccc(cc2)N(=O)=O)[C@@H]([C@H]([C@@H]1O)O)O.[NaH] |
