Base information
| Cat. No. | |
| CAS No. | 146391-91-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H4N2O2 |
| Molecular Weight | 136.108 |
| Exact Mass | 136.027 |
| XLogP3 | -0.04782 |
| Mr | 33.8007 |
| PSA | 76.88 |
| Sequence | - |
| Atom number | 14 |
| Bond number | 14 |
| Ring number | 1 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Oc1cc(=O)[nH]cc1C#N |
