Base information
| Cat. No. | |
| CAS No. | 850349-42-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H7N3O2 |
| Molecular Weight | 177.16 |
| Exact Mass | 177.054 |
| XLogP3 | 0.5159 |
| Mr | 44.2665 |
| PSA | 56.49 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 21 |
| Ring number | 2 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COC(=O)c1nccn2c1ncc2 |
