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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 2-(1,3-benzodioxol-5-yl)-4H-chromen-4-one , CAS No.54401-45-5
Synonyms
2-(1,3-benzodioxol-5-yl)-4H-chromen-4-one | NSC-102045 | NSC102045 | 4l2k | Maybridge3_002982 | ChemDiv2_003967 | Oprea1_271610 | MLS000089863 | DTXSID60295455 | HMS1380E07 | HMS1439H12 | HMS2499H05 | CCG-18945 | STL510844 | AKOS001656444 | IDI1_002682 |
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Why this grade for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships 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
2-(1, 3-benzodioxol-5-yl)-4H-chromen-4-one | NSC-102045 | NSC102045 | 4l2k | Maybridge3_002982 | ChemDiv2_003967 | Oprea1_271610 | MLS000089863 | DTXSID60295455 | HMS1380E07 | HMS1439H12 | HMS2499H05 | CCG-18945 | STL510844 | AKOS001656444 | IDI1_002682 |
Condiciones de almacenamiento de almacenamiento
Room temperature
Propiedades del producto Nombres e identificadores Sonrisas canónicas C1OC2=C(O1)C=C(C=C2)C3=CC(=O)C4=CC=CC=C4O3 IUPAC Name 2-(1,3-benzodioxol-5-yl)chromen-4-one InChIKey XJKWXDPKDNEEKV-UHFFFAOYSA-N INCHI 1S/C16H10O4/c17-12-8-15(20-13-4-2-1-3-11(12)13)10-5-6-14-16(7-10)19-9-18-14/h1-8H,9H2 Isómeros SMILES C1OC2=C(O1)C=C(C=C2)C3=CC(=O)C4=CC=CC=C4O3 Peso molecular 266.25 Reaxy-Rn 234268 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=234268&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 Clase Flavonoids Subclass Flavones Intermediate Tree Nodes Not available Direct Parent Flavones Alternative Parents Chromones Benzodioxoles Pyranones and derivatives Benzenoids Heteroaromatic compounds Oxacyclic compounds Acetals Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Flavone - Chromone - Benzopyran - 1-benzopyran - Benzodioxole - Pyranone - Pyran - Benzenoid - Heteroaromatic compound - Acetal - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound Descripción This compound belongs to the class of organic compounds known as flavones. These are flavonoids with a structure based on the backbone of 2-phenylchromen-4-one (2-phenyl-1-benzopyran-4-one). 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 266.250 g/mol XLogP3 3.400 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 1 Exact Mass 266.058 Da Monoisotopic Mass 266.058 Da Topological Polar Surface Area 44.800 Ų Heavy Atom Count 20 Formal Charge 0 Complexity 430.000 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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