Base information
| Cat. No. | |
| CAS No. | 857629-79-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H19N3O5 |
| Molecular Weight | 333.339 |
| Exact Mass | 333.132 |
| XLogP3 | 2.99768 |
| Mr | 90.364 |
| PSA | 119.38 |
| Sequence | - |
| Atom number | 43 |
| Bond number | 43 |
| Ring number | 1 |
| Rotor number | 8 |
| Residues number | 0 |
| Canonical smiles | CCOc1cc(/C=C(/C(=O)N(CC)CC)\C#N)cc(c1O)[N+](=O)[O-] |
