Base information
| Cat. No. | |
| CAS No. | 1332-94-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C14H15NO7 |
| Molecular Weight | 309.271 |
| Exact Mass | 309.085 |
| XLogP3 | -0.83992 |
| Mr | 70.1192 |
| PSA | 140.24 |
| Sequence | - |
| Atom number | 37 |
| Bond number | 38 |
| Ring number | 2 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | N#C[C@H](c1ccccc1)O[C@@H]1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O |
