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· · COA & SDS available for every product · Same-day shipping on in-stock items 4-cyanobicyclo[2.2.2]octane-1-carboxylic acid - ≥97% , CAS No.15941-09-0
Synonyms
DTXSID00394037 | 4-cyanobicyclo[2.2.2]octane-1-carboxylic Acid | Bicyclo[2.2.2]octane-1-carboxylic acid, 4-cyano- | ONXKUOTWYIGFMY-UHFFFAOYSA-N | 4-cyanobicyclo[2.2.2]octane-1-carboxylicAcid | SCHEMBL7396289 | 1-carboxy-4-cyano-bicyclo[2.2.2]-octane | EN3
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Why this grade ≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Normal Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
DTXSID00394037 | 4-cyanobicyclo[2.2.2]octane-1-carboxylic Acid | Bicyclo[2.2.2]octane-1-carboxylic acid, 4-cyano- | ONXKUOTWYIGFMY-UHFFFAOYSA-N | 4-cyanobicyclo[2.2.2]octane-1-carboxylicAcid | SCHEMBL7396289 | 1-carboxy-4-cyano-bicyclo[2.2.2]-octane | EN3
Specifications & Purity
≥97%
Names and Identifiers Canonical Smiles C1CC2(CCC1(CC2)C#N)C(=O)O IUPAC Name 4-cyanobicyclo[2.2.2]octane-1-carboxylic acid InChIKey ONXKUOTWYIGFMY-UHFFFAOYSA-N INCHI 1S/C10H13NO2/c11-7-9-1-4-10(5-2-9,6-3-9)8(12)13/h1-6H2,(H,12,13) Isomeric SMILES C1CC2(CCC1(CC2)C#N)C(=O)O Alternate CAS 15941-09-0 PubChem CID 3600093 Molecular Weight 179.22
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organic acids and derivatives Class Carboxylic acids and derivatives Subclass Carboxylic acids Intermediate Tree Nodes Not available Direct Parent Carboxylic acids Alternative Parents Nitriles Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aliphatic homopolycyclic compounds Substituents Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Cyanide - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic homopolycyclic compound Description This compound belongs to the class of organic compounds known as carboxylic acids. These are compounds containing a carboxylic acid group with the formula -C(=O)OH. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 179.220 g/mol XLogP3 0.800 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 1 Exact Mass 179.095 Da Monoisotopic Mass 179.095 Da Topological Polar Surface Area 61.100 Ų Heavy Atom Count 13 Formal Charge 0 Complexity 275.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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