Base information
| Cat. No. | |
| CAS No. | 168286-98-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C15H13NaO9 |
| Molecular Weight | 360.248 |
| Exact Mass | 360.046 |
| XLogP3 | -2.2707 |
| Mr | 75.2969 |
| PSA | 149.49 |
| Sequence | - |
| Atom number | 38 |
| Bond number | 39 |
| Ring number | 3 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | [O-]C(=O)[C@H]1O[C@@H](Oc2ccc3c(c2)oc(=O)cc3)[C@@H]([C@H]([C@@H]1O)O)O.[Na+] |
