Base information
| Cat. No. | |
| CAS No. | 1256345-67-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H8BNO3 |
| Molecular Weight | 176.965 |
| Exact Mass | 177.06 |
| XLogP3 | -0.75332 |
| Mr | 47.4746 |
| PSA | 73.48 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 21 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COc1cc(C#N)ccc1B(O)O |
