Base information
| Cat. No. | |
| CAS No. | 27825-20-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H6N2O3 |
| Molecular Weight | 154.123 |
| Exact Mass | 154.038 |
| XLogP3 | -0.4435 |
| Mr | 36.1372 |
| PSA | 72.05 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 17 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COC(=O)c1ncc[nH]c1=O |
