Base information
| Cat. No. | |
| CAS No. | 86-58-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H8BNO2 |
| Molecular Weight | 172.976 |
| Exact Mass | 173.065 |
| XLogP3 | -0.0854 |
| Mr | 51.5686 |
| PSA | 53.35 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 22 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | OB(c1cnc2c(c1)cccc2)O |
