Base information
| Cat. No. | |
| CAS No. | 21642-98-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H6N2O2 |
| Molecular Weight | 150.135 |
| Exact Mass | 150.043 |
| XLogP3 | 0.25518 |
| Mr | 38.2697 |
| PSA | 65.88 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 17 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | COc1cc[nH]c(=O)c1C#N |
