Base information
| Cat. No. | |
| CAS No. | 544478-19-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C21H22N2O6 |
| Molecular Weight | 398.409 |
| Exact Mass | 398.148 |
| XLogP3 | 3.3724 |
| Mr | 112.009 |
| PSA | 101.66 |
| Sequence | - |
| Atom number | 51 |
| Bond number | 52 |
| Ring number | 2 |
| Rotor number | 8 |
| Residues number | 0 |
| Canonical smiles | C#CCN1C(=C(C(=O)OC)C(C(=C1C)C(=O)OCC)c1cccc(c1)[N+](=O)[O-])C |
