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· · COA & SDS available for every product · Same-day shipping on in-stock items 3-[2-(Benzenesulfonyl)acetyl]chromen-2-one , CAS No.496846-21-0
Synonyms
3-[2-(benzenesulfonyl)acetyl]chromen-2-one | MLS001028611 | SMR000634135 | AN-829/14136109 | HMS2961C11 | 3-(2-besylacetyl)coumarin | Oprea1_579741 | cid_688785 | BDBM69935 | DTXSID60350972 | 3-(Phenyl sulfonyl)acetylcoumarin | NSC815464 | AKOS002088229 |
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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 Synonyms
3-[2-(benzenesulfonyl)acetyl]chromen-2-one | MLS001028611 | SMR000634135 | AN-829/14136109 | HMS2961C11 | 3-(2-besylacetyl)coumarin | Oprea1_579741 | cid_688785 | BDBM69935 | DTXSID60350972 | 3-(Phenyl sulfonyl)acetylcoumarin | NSC815464 | AKOS002088229 |
Product Properties Names and Identifiers Canonical Smiles C1=CC=C(C=C1)S(=O)(=O)CC(=O)C2=CC3=CC=CC=C3OC2=O IUPAC Name 3-[2-(benzenesulfonyl)acetyl]chromen-2-one InChIKey SOAMCCSEKSKSMW-UHFFFAOYSA-N INCHI 1S/C17H12O5S/c18-15(11-23(20,21)13-7-2-1-3-8-13)14-10-12-6-4-5-9-16(12)22-17(14)19/h1-10H,11H2 Isomeric SMILES C1=CC=C(C=C1)S(=O)(=O)CC(=O)C2=CC3=CC=CC=C3OC2=O Molecular Weight 328.3 Reaxy-Rn 19567837 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19567837&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 Class Coumarins and derivatives Subclass Not available Intermediate Tree Nodes Not available Direct Parent Coumarins and derivatives Alternative Parents 1-benzopyrans Benzenesulfonyl compounds Aryl alkyl ketones Pyranones and derivatives Sulfones Heteroaromatic compounds Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Coumarin - Benzopyran - 1-benzopyran - Benzenesulfonyl group - Aryl alkyl ketone - Aryl ketone - Pyranone - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Sulfonyl - Sulfone - Ketone - Lactone - Oxacycle - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-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.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 328.300 g/mol XLogP3 2.800 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 4 Exact Mass 328.041 Da Monoisotopic Mass 328.041 Da Topological Polar Surface Area 85.900 Ų Heavy Atom Count 23 Formal Charge 0 Complexity 607.000 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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