Base information
| Cat. No. | |
| CAS No. | 19171-18-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H9N3O6 |
| Molecular Weight | 303.227 |
| Exact Mass | 303.049 |
| XLogP3 | 0.7859 |
| Mr | 79.7737 |
| PSA | 129.37 |
| Sequence | - |
| Atom number | 31 |
| Bond number | 33 |
| Ring number | 3 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | O=C1CCC(C(=O)N1)N1C(=O)c2c(C1=O)cccc2[N+](=O)[O-] |
