Base information
| Cat. No. | |
| CAS No. | 663194-04-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H5N3O |
| Molecular Weight | 171.155 |
| Exact Mass | 171.043 |
| XLogP3 | 0.79478 |
| Mr | 47.0787 |
| PSA | 69.54 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 19 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | N#Cc1cccc2c1nc[nH]c2=O |
