Base information
| Cat. No. | |
| CAS No. | 850568-67-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C10H12BNO2 |
| Molecular Weight | 189.019 |
| Exact Mass | 189.096 |
| XLogP3 | 0.16758 |
| Mr | 55.2866 |
| PSA | 64.25 |
| Sequence | - |
| Atom number | 26 |
| Bond number | 26 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | OB(c1ccc(cc1)C(C#N)(C)C)O |
