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224,000+ produits de recherche · Triple ISO certified · COA & SDS disponible pour chaque produit · Expédition le jour même sur les articles en stock 4-Methoxychalcone - ≥98%(HPLC) , CAS No.959-33-1
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 Synonymes
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
Spécifications et pureté
≥98%(HPLC)
Conditions de stockage de stockage
Room temperature
Noms et identifiants Sourires canoniques
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+
Isomères SMILES
COC1=CC=C(C=C1)/C=C/C(=O)C2=CC=CC=C2
CAS alternatif
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 Description 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.
Structure 3D Cibles associées (humaines) Cibles associées (non humaines) Mécanismes d'action Certificats (CoA, COO, BSE/TSE et tableau d'analyse) Propriétés chimiques et physiques Point de fusion (°C) 75 °C Poids moléculaire 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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