Base information
| Cat. No. | |
| CAS No. | 85661-24-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H6N2O3 |
| Molecular Weight | 154.123 |
| Exact Mass | 154.038 |
| XLogP3 | 0.2967 |
| Mr | 36.6785 |
| PSA | 64.65 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 17 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | [O-][n+]1ccncc1C(=O)OC |
