Base information
| Cat. No. | |
| CAS No. | 138521-17-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C22H40BaO5 |
| Molecular Weight | 521.877 |
| Exact Mass | 522.193 |
| XLogP3 | 5.9607 |
| Mr | 111.498 |
| PSA | 61.83 |
| Sequence | - |
| Atom number | 68 |
| Bond number | 66 |
| Ring number | 0 |
| Rotor number | 8 |
| Residues number | 0 |
| Canonical smiles | O=C(C(C)(C)C)/C=C(/C(C)(C)C)\O[Ba]O/C(=C\C(=O)C(C)(C)C)/C(C)(C)C.O |
