Base information
| Cat. No. | |
| CAS No. | 1219937-96-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H22N2O6 |
| Molecular Weight | 338.356 |
| Exact Mass | 338.148 |
| XLogP3 | 2.3682 |
| Mr | 93.0665 |
| PSA | 93.82 |
| Sequence | - |
| Atom number | 46 |
| Bond number | 47 |
| Ring number | 2 |
| Rotor number | 8 |
| Residues number | 0 |
| Canonical smiles | COc1cc(C(=O)C)c(cc1OCCCN1CCOCC1)[N+](=O)[O-] |
