Base information
| Cat. No. | |
| CAS No. | 6292-01-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H6CaO4 |
| Molecular Weight | 182.187 |
| Exact Mass | 181.989 |
| XLogP3 | -2.1554 |
| Mr | 31.781 |
| PSA | 80.26 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 14 |
| Ring number | 0 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | [O-]C(=O)C=C.[O-]C(=O)C=C.[Ca+2] |
