Base information
| Cat. No. | |
| CAS No. | 127972-02-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H9BO4 |
| Molecular Weight | 179.966 |
| Exact Mass | 180.059 |
| XLogP3 | -0.8125 |
| Mr | 48.1471 |
| PSA | 66.76 |
| Sequence | - |
| Atom number | 22 |
| Bond number | 22 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | COc1ccc(cc1B(O)O)C=O |
