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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items Methyl 3-oxocyclohex-1-enecarboxylate - ≥95% , CAS No.54396-74-6
Synonyms
METHYL 3-OXO-CYCLOHEX-1-ENECARBOXYLATE | Methyl 3-oxocyclohex-1-enecarboxylate | Methyl 3-oxocyclohex-1-ene-1-carboxylate | FT-0766561 | methyl 3-oxocyclohexene-1-carboxylate | Methyl 3-Oxo-1-cyclohexenecarboxylate | 3-oxo-cyclohexene-1-carboxylic acid me
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Why this grade ≥95% 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 Sinónimos
METHYL 3-OXO-CYCLOHEX-1-ENECARBOXYLATE | Methyl 3-oxocyclohex-1-enecarboxylate | Methyl 3-oxocyclohex-1-ene-1-carboxylate | FT-0766561 | methyl 3-oxocyclohexene-1-carboxylate | Methyl 3-Oxo-1-cyclohexenecarboxylate | 3-oxo-cyclohexene-1-carboxylic acid me
Especificaciones y pureza
≥95%
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Sonrisas canónicas COC(=O)C1=CC(=O)CCC1 IUPAC Name methyl 3-oxocyclohexene-1-carboxylate InChIKey ZAFRZAWONSENGC-UHFFFAOYSA-N INCHI 1S/C8H10O3/c1-11-8(10)6-3-2-4-7(9)5-6/h5H,2-4H2,1H3 Isómeros SMILES COC(=O)C1=CC(=O)CCC1 Peso molecular 154.16 Reaxy-Rn 2083940 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2083940&ln=
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 Clase Organooxygen compounds Subclass Carbonyl compounds Intermediate Tree Nodes Ketones - Cyclic ketones Direct Parent Cyclohexenones Alternative Parents Methyl esters Enoate esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Molecular Framework Aliphatic homomonocyclic compounds Substituents Cyclohexenone - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound Descripción This compound belongs to the class of organic compounds known as cyclohexenones. These are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond. 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 154.160 g/mol XLogP3 0.500 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 2 Exact Mass 154.063 Da Monoisotopic Mass 154.063 Da Topological Polar Surface Area 43.400 Ų Heavy Atom Count 11 Formal Charge 0 Complexity 215.000 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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