Base information
| Cat. No. | |
| CAS No. | 1251033-14-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H8N2O2 |
| Molecular Weight | 164.161 |
| Exact Mass | 164.059 |
| XLogP3 | -0.0104 |
| Mr | 46.8259 |
| PSA | 61.96 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 21 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | O=C1NCCc2c1ccc(=O)[nH]2 |
