Base information
| Cat. No. | |
| CAS No. | 145325-48-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C21H22N2O12 |
| Molecular Weight | 494.406 |
| Exact Mass | 494.117 |
| XLogP3 | 4.5911 |
| Mr | 122.722 |
| PSA | 203.16 |
| Sequence | - |
| Atom number | 57 |
| Bond number | 58 |
| Ring number | 2 |
| Rotor number | 14 |
| Residues number | 0 |
| Canonical smiles | COc1cc(C(=O)O)c(cc1OCCCCCOc1cc([N+](=O)[O-])c(cc1OC)C(=O)O)[N+](=O)[O-] |
