Base information
| Cat. No. | |
| CAS No. | 1116093-68-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C14H18BNO2 |
| Molecular Weight | 243.109 |
| Exact Mass | 243.143 |
| XLogP3 | 2.16588 |
| Mr | 72.599 |
| PSA | 42.25 |
| Sequence | - |
| Atom number | 36 |
| Bond number | 37 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | N#Cc1cc(C)ccc1B1OC(C(O1)(C)C)(C)C |