Base information
| Cat. No. | |
| CAS No. | 71550-45-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H14N3O5P |
| Molecular Weight | 323.241 |
| Exact Mass | 323.067 |
| XLogP3 | 3.94838 |
| Mr | 80.9703 |
| PSA | 147.65 |
| Sequence | - |
| Atom number | 36 |
| Bond number | 35 |
| Ring number | 2 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | [O-]P(=O)(O)O.N#[N+]c1ccc(cc1)Nc1ccccc1.C=O |
