Base information
| Cat. No. | |
| CAS No. | 13138-74-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H6N2O4 |
| Molecular Weight | 170.123 |
| Exact Mass | 170.033 |
| XLogP3 | 1.2327 |
| Mr | 40.8942 |
| PSA | 87.91 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 18 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | [O-][N+](=O)c1cc([nH]c1)C(=O)OC |
