Base information
| Cat. No. | |
| CAS No. | 54553-90-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C19H16N2O8 |
| Molecular Weight | 400.339 |
| Exact Mass | 400.091 |
| XLogP3 | 1.2802 |
| Mr | 106.915 |
| PSA | 173.59 |
| Sequence | - |
| Atom number | 45 |
| Bond number | 46 |
| Ring number | 3 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | c1ccc(cc1)C1=NCCN1.OC(=O)c1cc(C(=O)O)c(cc1C(=O)O)C(=O)O |
