Base information
| Cat. No. | |
| CAS No. | 788799-13-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C22H30F2O5 |
| Molecular Weight | 412.467 |
| Exact Mass | 412.206 |
| XLogP3 | 3.513 |
| Mr | 106.174 |
| PSA | 86.99 |
| Sequence | - |
| Atom number | 59 |
| Bond number | 60 |
| Ring number | 2 |
| Rotor number | 8 |
| Residues number | 0 |
| Canonical smiles | CCC#CC[C@@H]([C@@H](/C=C/[C@H]1[C@H](O)C[C@H]2[C@@H]1C(F)(F)/C(=C/CCCC(=O)O)/O2)O)C |
