Base information
| Cat. No. | |
| CAS No. | 203179-02-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H4N2O3 |
| Molecular Weight | 176.129 |
| Exact Mass | 176.022 |
| XLogP3 | 1.80218 |
| Mr | 45.3665 |
| PSA | 86.68 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 17 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | N#Cc1cc(C=O)ccc1[N+](=O)[O-] |