Base information
| Cat. No. | |
| CAS No. | 517-89-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H16O5 |
| Molecular Weight | 288.295 |
| Exact Mass | 288.1 |
| XLogP3 | 2.1204 |
| Mr | 77.8188 |
| PSA | 94.83 |
| Sequence | - |
| Atom number | 37 |
| Bond number | 38 |
| Ring number | 2 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | CC(=CC[C@H](C1=CC(=O)c2c(C1=O)c(O)ccc2O)O)C |
