Base information
| Cat. No. | |
| CAS No. | 51828-95-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H12CaO3 |
| Molecular Weight | 172.236 |
| Exact Mass | 172.041 |
| XLogP3 | 0.9112 |
| Mr | 35.1518 |
| PSA | 54.37 |
| Sequence | - |
| Atom number | 22 |
| Bond number | 20 |
| Ring number | 0 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | CC(CC(=O)C(=O)O)C.[CaH2] |
