Base information
| Cat. No. | |
| CAS No. | 6890-77-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H5NO4 |
| Molecular Weight | 179.13 |
| Exact Mass | 179.022 |
| XLogP3 | 1.4996 |
| Mr | 45.6585 |
| PSA | 79.96 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 18 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | O=CC(=O)c1cccc(c1)[N+](=O)[O-] |
