Base information
| Cat. No. | |
| CAS No. | 116855-09-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H7N3O2 |
| Molecular Weight | 177.16 |
| Exact Mass | 177.054 |
| XLogP3 | 0.6665 |
| Mr | 45.7493 |
| PSA | 68.01 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 21 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | Cn1nc(c2c1nccc2)C(=O)O |
