Base information
| Cat. No. | |
| CAS No. | 1001907-59-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H9BN2O2 |
| Molecular Weight | 175.98 |
| Exact Mass | 176.076 |
| XLogP3 | -0.7469 |
| Mr | 50.8206 |
| PSA | 58.28 |
| Sequence | - |
| Atom number | 22 |
| Bond number | 23 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | OB(c1cccc2c1n(C)nc2)O |
