Base information
| Cat. No. | |
| CAS No. | 1082041-32-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H8N2O3 |
| Molecular Weight | 180.161 |
| Exact Mass | 180.053 |
| XLogP3 | 0.5079 |
| Mr | 43.8767 |
| PSA | 93.28 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 21 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | OC(=O)Cc1ccnc(c1)C(=O)N |
