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· · COA & SDS Disponível para todos os produtos · Envio no mesmo dia em itens em estoque 4-Methoxychalcone - ≥98%(HPLC) , CAS No.959-33-1
Disponível para encomenda
Synonyms
2-(4-Methoxybenzal)acetophenone | BDBM86005 | Q63395979 | SCHEMBL1566431 | 2-propen-1-one, 3-(4-methoxyphenyl)-1-phenyl-, (2E)- | Chalcone, 4 | MFCD00017179 | trans-4-Methoxychalcone | W-100150 | 2-(4-Methoxybenzylidene)acetophenone | p-Methoxyphenyl styr
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Why this grade ≥98%(HPLC) 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Sinónimos
2-(4-Methoxybenzal)acetophenone | BDBM86005 | Q63395979 | SCHEMBL1566431 | 2-propen-1-one, 3-(4-methoxyphenyl)-1-phenyl-, (2E)- | Chalcone, 4 | MFCD00017179 | trans-4-Methoxychalcone | W-100150 | 2-(4-Methoxybenzylidene)acetophenone | p-Methoxyphenyl styr
Especificações e pureza
≥98%(HPLC)
Condições de armazenamento de armazenamento
Room temperature
Nomes e identificadores Sorrisos canónicos
COC1=CC=C(C=C1)C=CC(=O)C2=CC=CC=C2
IUPAC Name
(E)-3-(4-methoxyphenyl)-1-phenylprop-2-en-1-one
InChIKey
XUFXKBJMCRJATM-FMIVXFBMSA-N
INCHI
1S/C16H14O2/c1-18-15-10-7-13(8-11-15)9-12-16(17)14-5-3-2-4-6-14/h2-12H,1H3/b12-9+
SMILES isoméricas
COC1=CC=C(C=C1)/C=C/C(=O)C2=CC=CC=C2
CAS alternativo
22252-15-9
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=978742&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 Phenylpropanoids and polyketides Classe Linear 1,3-diarylpropanoids Subclass Chalcones and dihydrochalcones Intermediate Tree Nodes Not available Direct Parent Retrochalcones Alternative Parents Styrenes Phenoxy compounds Methoxybenzenes Benzoyl derivatives Aryl ketones Anisoles Alkyl aryl ethers Enones Acryloyl compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Retrochalcone - Anisole - Benzoyl - Phenol ether - Styrene - Phenoxy compound - Aryl ketone - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Acryloyl-group - Alpha,beta-unsaturated ketone - Enone - Ketone - Ether - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound Descrição This compound belongs to the class of organic compounds known as retrochalcones. These are a form of normal chalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions. 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.
Estrutura 3D Alvos associados (humanos) Alvos associados (não humanos) Mecanismos de ação Certificados（CoA,COO,BSE/TSE e Mapa de Análise) Propriedades químicas e físicas Ponto de fusão (°C) 75 °C Peso molecular 238.280 g/mol XLogP3 3.100 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 4 Exact Mass 238.099 Da Monoisotopic Mass 238.099 Da Topological Polar Surface Area 26.300 Ų Heavy Atom Count 18 Formal Charge 0 Complexity 281.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 1 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 1 Covalently-Bonded Unit Count 1
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