Base information
| Cat. No. | |
| CAS No. | 72817-94-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H8N2O3 |
| Molecular Weight | 192.171 |
| Exact Mass | 192.053 |
| XLogP3 | 1.43388 |
| Mr | 49.5097 |
| PSA | 107.34 |
| Sequence | - |
| Atom number | 22 |
| Bond number | 22 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | N#Cc1cc(C(=O)O)c(c(c1N)C)O |
