Base information
| Cat. No. | |
| CAS No. | 706820-96-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C14H18BNO3 |
| Molecular Weight | 259.109 |
| Exact Mass | 259.138 |
| XLogP3 | 1.86608 |
| Mr | 74.125 |
| PSA | 51.48 |
| Sequence | - |
| Atom number | 37 |
| Bond number | 38 |
| Ring number | 2 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COc1ccc(cc1B1OC(C(O1)(C)C)(C)C)C#N |
