Base information
| Cat. No. | |
| CAS No. | 58-55-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H8N4O2 |
| Molecular Weight | 180.164 |
| Exact Mass | 180.065 |
| XLogP3 | -1.0397 |
| Mr | 47.1377 |
| PSA | 72.68 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 22 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Cn1c(=O)n(C)c2c(c1=O)nc[nH]2 |
