Base information
| Cat. No. | |
| CAS No. | 857629-78-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C15H17N3O5 |
| Molecular Weight | 319.313 |
| Exact Mass | 319.117 |
| XLogP3 | 2.60758 |
| Mr | 85.557 |
| PSA | 119.38 |
| Sequence | - |
| Atom number | 40 |
| Bond number | 40 |
| Ring number | 1 |
| Rotor number | 7 |
| Residues number | 0 |
| Canonical smiles | CCN(C(=O)/C(=C/c1cc(OC)c(c(c1)[N+](=O)[O-])O)/C#N)CC |
