Base information
| Cat. No. | |
| CAS No. | 85576-82-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C21H19ClO3 |
| Molecular Weight | 354.827 |
| Exact Mass | 354.102 |
| XLogP3 | 4.994 |
| Mr | 98.249 |
| PSA | 35.53 |
| Sequence | - |
| Atom number | 44 |
| Bond number | 46 |
| Ring number | 3 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | ClC#C[C@H]1[C@H](C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1 |
