Base information
| Cat. No. | |
| CAS No. | 1247-42-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C22H28O5 |
| Molecular Weight | 372.455 |
| Exact Mass | 372.194 |
| XLogP3 | 2.0118 |
| Mr | 100.906 |
| PSA | 91.67 |
| Sequence | - |
| Atom number | 55 |
| Bond number | 58 |
| Ring number | 4 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | OCC(=O)[C@@]1(O)[C@@H](C)C[C@@H]2[C@]1(C)CC(=O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C |
