Base information
| Cat. No. | |
| CAS No. | 111795-99-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H7N3O3 |
| Molecular Weight | 193.159 |
| Exact Mass | 193.049 |
| XLogP3 | 1.58768 |
| Mr | 49.073 |
| PSA | 91.73 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 21 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | N#CCc1nc(OC)ccc1[N+](=O)[O-] |
