Base information
| Cat. No. | |
| CAS No. | 1001424-68-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C18H16O6 |
| Molecular Weight | 328.316 |
| Exact Mass | 328.095 |
| XLogP3 | 3.2773 |
| Mr | 91.802 |
| PSA | 111.13 |
| Sequence | - |
| Atom number | 40 |
| Bond number | 42 |
| Ring number | 3 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | CC(=CCc1cc2c(c(c1O)O)oc1c(c2=O)c(O)ccc1O)C |
