Base information
| Cat. No. | |
| CAS No. | 80198-99-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H8N2O2 |
| Molecular Weight | 176.172 |
| Exact Mass | 176.059 |
| XLogP3 | 2.57418 |
| Mr | 49.593 |
| PSA | 69.61 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 21 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | N#CCCc1cccc(c1)[N+](=O)[O-] |
