caprylic acid, barium salt
barium(2+);bis(octanoate)
CAS: 4696-54-2
| Molecular Formula | C16H30BaO4 |
|---|---|
| Molecular Weight | 423.7 g/mol |
| Topological Polar Surface Area | 80.3 A2 |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 424.11966 |
| Heavy Atoms | 21 |
| Complexity | 83.0 |
Chemical Identifiers
| CAS Number | 4696-54-2 |
|---|---|
| SMILES | CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].[Ba+2] |
| InChIKey | PJUKKJYOSBWEQO-UHFFFAOYSA-L |
📖 Product Overview
caprylic acid, barium salt (CAS: 4696-54-2) is a chemical compound with molecular formula C16H30BaO4 and molecular weight 423.7 g/mol. Its IUPAC systematic name is barium(2+);bis(octanoate).
PJUKKJYOSBWEQO-UHFFFAOYSA-L.
SMILES: CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].[Ba+2].
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.
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