Base information
| Cat. No. | |
| CAS No. | 216485-86-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H13BO3 |
| Molecular Weight | 180.009 |
| Exact Mass | 180.096 |
| XLogP3 | 0.1536 |
| Mr | 52.3736 |
| PSA | 49.69 |
| Sequence | - |
| Atom number | 26 |
| Bond number | 26 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | CC(Oc1cccc(c1)B(O)O)C |
