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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items ácido 4-(4etoxifenil)-4-oxobutírico - ≥97% , CAS No.53623-37-3
Synonyms
SMR000144978 | 4-(4-ethoxyphenyl)-4-oxobutanoic acid | 4-(4-Ethoxy-phenyl)-4-oxo-butyric acid | 4-(4-Ethoxyphenyl)-4-oxobutyric acid | J-513495 | MLS000550850 | DTXSID50352400 | CHEBI:167786 | 3-(4-Ethoxybenzoyl)propionic acid | STK202165 | AKOS000200526
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Why this grade ≥97% 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 Sinónimos
SMR000144978 | 4-(4-ethoxyphenyl)-4-oxobutanoic acid | 4-(4-Ethoxy-phenyl)-4-oxo-butyric acid | 4-(4-Ethoxyphenyl)-4-oxobutyric acid | J-513495 | MLS000550850 | DTXSID50352400 | CHEBI:167786 | 3-(4-Ethoxybenzoyl)propionic acid | STK202165 | AKOS000200526
Especificaciones y pureza
≥97%
Condiciones de almacenamiento de almacenamiento
Store at 2-8°C
Enviado en
Wet ice
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Nombres e identificadores Sonrisas canónicas CCOC1=CC=C(C=C1)C(=O)CCC(=O)O IUPAC Name 4-(4-ethoxyphenyl)-4-oxobutanoic acid InChIKey HXMFVOXVXQBEEJ-UHFFFAOYSA-N INCHI 1S/C12H14O4/c1-2-16-10-5-3-9(4-6-10)11(13)7-8-12(14)15/h3-6H,2,7-8H2,1H3,(H,14,15) Isómeros SMILES CCOC1=CC=C(C=C1)C(=O)CCC(=O)O Peso molecular 222.24 Reaxy-Rn 2648877 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2648877&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 - Aryl ketones - Phenylketones Direct Parent Alkyl-phenylketones Alternative Parents Butyrophenones Phenoxy compounds Phenol ethers Gamma-keto acids and derivatives Benzoyl derivatives Aryl alkyl ketones Alkyl aryl ethers Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Alkyl-phenylketone - Butyrophenone - Benzoyl - Phenoxy compound - Gamma-keto acid - Phenol ether - Aryl alkyl ketone - Alkyl aryl ether - Keto acid - Monocyclic benzene moiety - Benzenoid - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound Descripción This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl 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 Objetivos asociados (humanos) Objetivos asociados (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Peso molecular 222.240 g/mol XLogP3 1.700 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 6 Exact Mass 222.089 Da Monoisotopic Mass 222.089 Da Topological Polar Surface Area 63.600 Ų Heavy Atom Count 16 Formal Charge 0 Complexity 241.000 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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