Base information
| Cat. No. | |
| CAS No. | 123696-01-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C5H6N2O2 |
| Molecular Weight | 126.113 |
| Exact Mass | 126.043 |
| XLogP3 | -0.2215 |
| Mr | 31.3497 |
| PSA | 54.98 |
| Sequence | - |
| Atom number | 15 |
| Bond number | 15 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | COc1cc(=O)[nH]nc1 |
