Base information
| Cat. No. | |
| CAS No. | 21667-64-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H6N2O3 |
| Molecular Weight | 190.156 |
| Exact Mass | 190.038 |
| XLogP3 | 2.21438 |
| Mr | 50.0145 |
| PSA | 86.68 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 20 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | N#CCC(=O)c1cccc(c1)[N+](=O)[O-] |
