Base information
| Cat. No. | |
| CAS No. | 1019767-68-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H6BNO4 |
| Molecular Weight | 166.927 |
| Exact Mass | 167.039 |
| XLogP3 | -1.5099 |
| Mr | 40.1256 |
| PSA | 71.81 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 19 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | OB(c1cnc2c(c1)OCO2)O |
