Docosanoic acid, barium salt (2:1)
barium(2+);docosanoate
Also Known As: Barium behenate|Barium didocosanoate|Docosanoic acid, barium salt|barium(2+); docosanoate|Didocosanoic acid barium salt|Docosanoic acid, barium salt (2:1)|C22H44O2.1/2Ba|Docosanoic acid, bariumsalt (2:1)|C22-H44-O2.1/2Ba
CAS: 27247-41-2
| Molecular Formula | C44H86BaO4 |
|---|---|
| Molecular Weight | 816.55786 g/mol |
| LogP | 12.7356 |
| Topological Polar Surface Area | 80.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 38 |
| Exact Mass | 816.55786 |
| Monoisotopic Mass | 816.55786 |
| Heavy Atoms | 49 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 27247-41-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].[Ba+2] |
| InChIKey | HKYBCZMGCVOGCR-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Heterocyclic Building Blocks (4 patents)
Photographic Chemicals (7 patents)
Plastic Additives (25 patents)
Polymer Intermediates (75 patents)
Specialty Chemicals (2 patents)
Surfactants & Detergents (1 patents)
Product Overview
Docosanoic acid, barium salt (2:1) (CAS 27247-41-2), with molecular formula C44H86BaO4 and molecular weight 816.55786 g/mol. IUPAC: barium(2+);docosanoate.
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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