Base information
| Cat. No. | |
| CAS No. | 77449-43-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H16N2O7 |
| Molecular Weight | 348.307 |
| Exact Mass | 348.096 |
| XLogP3 | 0.6483 |
| Mr | 88.9228 |
| PSA | 129.73 |
| Sequence | - |
| Atom number | 41 |
| Bond number | 43 |
| Ring number | 3 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | CC(C1C2CC(=O)C(N2C1=O)C(=O)OCc1ccc(cc1)[N+](=O)[O-])O |
