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· · COA & SDS available for every product · Same-day shipping on in-stock items 4-[(1-Methyl-4(1H)-pyridinylidene)ethylidene]-2,5-cyclohexadien-1-one - ≥95% , CAS No.23302-83-2
Synonyms
4-[2-(1-Methyl-4-Pyridylidene)Ethylidene]Cyclohexa-2,5-Dien-1-One
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Why this grade ≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at 2-8°C Ships Wet ice 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
4-[2-(1-Methyl-4-Pyridylidene)Ethylidene]Cyclohexa-2, 5-Dien-1-One
Specifications & Purity
≥95%
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Canonical Smiles CN1C=CC(=CC=C2C=CC(=O)C=C2)C=C1 IUPAC Name 4-[2-(1-methylpyridin-4-ylidene)ethylidene]cyclohexa-2,5-dien-1-one InChIKey DBOHWMPKJCJANT-UHFFFAOYSA-N INCHI 1S/C14H13NO/c1-15-10-8-13(9-11-15)3-2-12-4-6-14(16)7-5-12/h2-11H,1H3 Isomeric SMILES CN1C=CC(=CC=C2C=CC(=O)C=C2)C=C1 Alternate CAS 23302-83-2 NSC Number 87344 Molecular Weight 211.26
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 oxygen compounds Class Organooxygen compounds Subclass Carbonyl compounds Intermediate Tree Nodes Ketones - Cyclic ketones - Quinomethanes Direct Parent P-quinomethanes Alternative Parents Dihydropyridines Trialkylamines Enamines Azacyclic compounds Allylamines Organopnictogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aliphatic heteromonocyclic compounds Substituents P-quinomethane - Dihydropyridine - Hydropyridine - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Enamine - Allylamine - Amine - Organic oxide - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Hydrocarbon derivative - Aliphatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as p-quinomethanes. These are organic compounds containing a benzene ring conjugated to a methylidene group and a ketone at carbon atoms 1 and 4, respectively. 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 Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 211.260 g/mol XLogP3 2.100 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 1 Exact Mass 211.1 Da Monoisotopic Mass 211.1 Da Topological Polar Surface Area 20.300 Ų Heavy Atom Count 16 Formal Charge 0 Complexity 439.000 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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