Base information
| Cat. No. | |
| CAS No. | 100596-39-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C18H15NO9 |
| Molecular Weight | 389.313 |
| Exact Mass | 389.075 |
| XLogP3 | 3.2701 |
| Mr | 95.6185 |
| PSA | 133.95 |
| Sequence | - |
| Atom number | 43 |
| Bond number | 44 |
| Ring number | 2 |
| Rotor number | 9 |
| Residues number | 0 |
| Canonical smiles | COC(=O)c1ccc(c(c1)[N+](=O)[O-])Oc1cc(cc(c1)C(=O)OC)C(=O)OC |
