Base information
| Cat. No. | |
| CAS No. | 69-46-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C18H14CaO8 |
| Molecular Weight | 398.377 |
| Exact Mass | 398.031 |
| XLogP3 | 2.466 |
| Mr | 86.713 |
| PSA | 105.2 |
| Sequence | - |
| Atom number | 41 |
| Bond number | 42 |
| Ring number | 2 |
| Rotor number | 8 |
| Residues number | 0 |
| Canonical smiles | CC(=O)Oc1ccccc1C(=O)O[Ca]OC(=O)c1ccccc1OC(=O)C |
