Base information
| Cat. No. | |
| CAS No. | 1041004-62-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H6N2O3 |
| Molecular Weight | 178.145 |
| Exact Mass | 178.038 |
| XLogP3 | 0.7381 |
| Mr | 44.1743 |
| PSA | 74.83 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 20 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | OC(=O)c1cn2c(n1)c(O)ccc2 |
