Base information
| Cat. No. | |
| CAS No. | 7693-13-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H10Ca3O14 |
| Molecular Weight | 498.433 |
| Exact Mass | 497.895 |
| XLogP3 | -2.9596 |
| Mr | 65.6796 |
| PSA | 198.26 |
| Sequence | - |
| Atom number | 39 |
| Bond number | 40 |
| Ring number | 2 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | O=C(C1(O)CC(=O)O[Ca]OC(=O)C1)O[Ca]OC(=O)C1(O)CC(=O)O[Ca]OC(=O)C1 |
