Base information
| Cat. No. | |
| CAS No. | 205259-40-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C22H19NO6 |
| Molecular Weight | 393.389 |
| Exact Mass | 393.121 |
| XLogP3 | 5.0626 |
| Mr | 108.502 |
| PSA | 90.58 |
| Sequence | - |
| Atom number | 48 |
| Bond number | 50 |
| Ring number | 3 |
| Rotor number | 9 |
| Residues number | 0 |
| Canonical smiles | COc1cc(C(=O)OCc2ccccc2)c(cc1OCc1ccccc1)[N+](=O)[O-] |
