Base information
| Cat. No. | |
| CAS No. | 15988-11-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H7N3O2 |
| Molecular Weight | 177.16 |
| Exact Mass | 177.054 |
| XLogP3 | -0.1461 |
| Mr | 47.0104 |
| PSA | 70.65 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 21 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | O=c1[nH][nH]c(=O)n1c1ccccc1 |
