Base information
| Cat. No. | |
| CAS No. | 4894-34-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H8N2O |
| Molecular Weight | 160.173 |
| Exact Mass | 160.064 |
| XLogP3 | 1.6838 |
| Mr | 46.4472 |
| PSA | 45.75 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 21 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | O=Cc1c[nH]c2c1c(C)ccn2 |
