Calcium phenylpyruvate
calcium bis(2-oxo-3-phenylpropanoate)
Also Known As: Calcium phenylpyruvate|Calciumphenylpyruvate|Phenylpyruvic acid calcium salt|Bis(benzenepyruvato)calcium|calcium;2-oxo-3-phenylpropanoate|Calcium bis(3-phenylpyruvate)|EINECS 259-380-3|calcium 2-oxo-3-phenylpropanoate|N723|K-9509|Calcium phenylpyruvate, purum, >=98.0% (dry substance, NT)|Calcium, bis[alpha-(oxo-kappaO)benzenepropanoato-kappaO]-, (T-4)-
CAS: 54865-40-6
| Molecular Formula | C18H14CaO6 |
|---|---|
| Molecular Weight | 366.04163 g/mol |
| LogP | -1.2846 |
| Topological Polar Surface Area | 114.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 366.04163 |
| Monoisotopic Mass | 366.04163 |
| Heavy Atoms | 25 |
| Complexity | 649.36084 |
Chemical Identifiers
| CAS Number | 54865-40-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(=O)C(=O)[O-].C1=CC=C(C=C1)CC(=O)C(=O)[O-].[Ca+2] |
Product Overview
Calcium phenylpyruvate (CAS 54865-40-6), with molecular formula C18H14CaO6 and molecular weight 366.04163 g/mol. IUPAC: calcium bis(2-oxo-3-phenylpropanoate).
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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