Base information
| Cat. No. | |
| CAS No. | 1217501-00-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C10H10BNO2 |
| Molecular Weight | 187.003 |
| Exact Mass | 187.08 |
| XLogP3 | -0.07842 |
| Mr | 53.1726 |
| PSA | 64.25 |
| Sequence | - |
| Atom number | 24 |
| Bond number | 25 |
| Ring number | 2 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | OB(c1ccc(cc1)C1(CC1)C#N)O |
