Base information
| Cat. No. | |
| CAS No. | 391248-18-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H16BNO2 |
| Molecular Weight | 217.072 |
| Exact Mass | 217.127 |
| XLogP3 | 0.1302 |
| Mr | 68.7276 |
| PSA | 43.7 |
| Sequence | - |
| Atom number | 32 |
| Bond number | 34 |
| Ring number | 3 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | OB(c1cc2CCCN3c2c(c1)CCC3)O |
