Base information
| Cat. No. | |
| CAS No. | 13005-09-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C22H24N2O7 |
| Molecular Weight | 428.435 |
| Exact Mass | 428.158 |
| XLogP3 | 3.9773 |
| Mr | 119.29 |
| PSA | 109.68 |
| Sequence | - |
| Atom number | 55 |
| Bond number | 57 |
| Ring number | 4 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | [O-][N+](=O)[O-].COc1cc2CC[n+]3c(-c2cc1OC)c(C)c1c(c3)c(OC)c(cc1)OC |
