Base information
| Cat. No. | |
| CAS No. | 30510-18-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H6N2O |
| Molecular Weight | 146.146 |
| Exact Mass | 146.048 |
| XLogP3 | 1.17798 |
| Mr | 38.9875 |
| PSA | 53.75 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 17 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | N#CCC(=O)c1cccnc1 |
