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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 4-Boc-cyclohexanone - ≥97% , CAS No.38446-95-6
Synonyms
HYNBSBAWGATECV-UHFFFAOYSA-N | AKOS006284964 | tert-butyl-4-oxocyclohexanecarboxylate | FT-0645239 | TERT-BUTYL 4-OXOCYCLOHEXANECARBOXYLATE | Cyclohexanecarboxylic acid, 4-oxo-, 1,1-dimethylethyl ester | SCHEMBL1700349 | DTXSID20565782 | tert-butyl 4-oxocy
Storage
Room temperature,Argon charged
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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,Argon charged 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 Sinónimos
HYNBSBAWGATECV-UHFFFAOYSA-N | AKOS006284964 | tert-butyl-4-oxocyclohexanecarboxylate | FT-0645239 | TERT-BUTYL 4-OXOCYCLOHEXANECARBOXYLATE | Cyclohexanecarboxylic acid, 4-oxo-, 1, 1-dimethylethyl ester | SCHEMBL1700349 | DTXSID20565782 | tert-butyl 4-oxocy
Especificaciones y pureza
≥97%
Condiciones de almacenamiento de almacenamiento
Room temperature, Argon charged
Nombres e identificadores Sonrisas canónicas CC(C)(C)OC(=O)C1CCC(=O)CC1 IUPAC Name tert-butyl 4-oxocyclohexane-1-carboxylate InChIKey HYNBSBAWGATECV-UHFFFAOYSA-N INCHI 1S/C11H18O3/c1-11(2,3)14-10(13)8-4-6-9(12)7-5-8/h8H,4-7H2,1-3H3 Isómeros SMILES CC(C)(C)OC(=O)C1CCC(=O)CC1 CAS alternativo 38446-95-6 PubChem CID 14940589 Peso molecular 198.26
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 acids and derivatives Clase Carboxylic acids and derivatives Subclass Carboxylic acid derivatives Intermediate Tree Nodes Not available Direct Parent Carboxylic acid esters Alternative Parents Cyclic ketones Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Molecular Framework Aliphatic homomonocyclic compounds Substituents Cyclic ketone - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound Descripción This compound belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group). 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.
Estructura 3D Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Peso molecular 198.260 g/mol XLogP3 1.200 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 3 Exact Mass 198.126 Da Monoisotopic Mass 198.126 Da Topological Polar Surface Area 43.400 Ų Heavy Atom Count 14 Formal Charge 0 Complexity 227.000 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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