Base information
| Cat. No. | |
| CAS No. | 1227068-63-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H22BNO3 |
| Molecular Weight | 251.13 |
| Exact Mass | 251.169 |
| XLogP3 | 2.0819 |
| Mr | 75.971 |
| PSA | 38.77 |
| Sequence | - |
| Atom number | 40 |
| Bond number | 41 |
| Ring number | 2 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | CC(=O)N1CCCC(=C1)B1OC(C(O1)(C)C)(C)C |