Base information
| Cat. No. | |
| CAS No. | 74936-72-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H16N2O6 |
| Molecular Weight | 332.308 |
| Exact Mass | 332.101 |
| XLogP3 | 2.9392 |
| Mr | 90.2045 |
| PSA | 121.45 |
| Sequence | - |
| Atom number | 40 |
| Bond number | 41 |
| Ring number | 2 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | COC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)O)C |
