Base information
| Cat. No. | |
| CAS No. | 111518-95-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C17H16O6 |
| Molecular Weight | 316.305 |
| Exact Mass | 316.095 |
| XLogP3 | 1.3451 |
| Mr | 83.7006 |
| PSA | 121.38 |
| Sequence | - |
| Atom number | 39 |
| Bond number | 40 |
| Ring number | 2 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | O[C@H]([C@@H](c1ccc(c(c1)O)O)O)CC#Cc1ccc(c(c1)O)O |
