Base information
| Cat. No. | |
| CAS No. | 12798-51-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C19H20O6 |
| Molecular Weight | 344.359 |
| Exact Mass | 344.126 |
| XLogP3 | 2.2867 |
| Mr | 85.5138 |
| PSA | 85.97 |
| Sequence | - |
| Atom number | 45 |
| Bond number | 49 |
| Ring number | 5 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | O[C@@H]1[C@@H]2OC(=O)C3=C2[C@@H]([C@]2([C@@H]1C)C[C@H](OC2=O)c1cocc1)CCC3 |
