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· · COA & SDS available for every product · Same-day shipping on in-stock items methyl {[4-(3-nitrophenyl)-2-oxo-2H-chromen-7-yl]oxy}acetate , CAS No.300839-85-4
Synonyms
methyl {[4-(3-nitrophenyl)-2-oxo-2H-chromen-7-yl]oxy}acetate | methyl 2-{[4-(3-nitrophenyl)-2-oxo-2H-chromen-7-yl]oxy}acetate | SMR000194529 | methyl 2-((4-(3-nitrophenyl)-2-oxo-2H-chromen-7-yl)oxy)acetate | Oprea1_189885 | Oprea1_527755 | MLS000572666 |
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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
methyl {[4-(3-nitrophenyl)-2-oxo-2H-chromen-7-yl]oxy}acetate | methyl 2-{[4-(3-nitrophenyl)-2-oxo-2H-chromen-7-yl]oxy}acetate | SMR000194529 | methyl 2-((4-(3-nitrophenyl)-2-oxo-2H-chromen-7-yl)oxy)acetate | Oprea1_189885 | Oprea1_527755 | MLS000572666 |
Product Properties Names and Identifiers Canonical Smiles COC(=O)COC1=CC2=C(C=C1)C(=CC(=O)O2)C3=CC(=CC=C3)[N+](=O)[O-] IUPAC Name methyl 2-[4-(3-nitrophenyl)-2-oxochromen-7-yl]oxyacetate InChIKey XQGYZAXDYGLKFO-UHFFFAOYSA-N INCHI 1S/C18H13NO7/c1-24-18(21)10-25-13-5-6-14-15(9-17(20)26-16(14)8-13)11-3-2-4-12(7-11)19(22)23/h2-9H,10H2,1H3 Isomeric SMILES COC(=O)COC1=CC2=C(C=C1)C(=CC(=O)O2)C3=CC(=CC=C3)[N+](=O)[O-] PubChem CID 1109314 Molecular Weight 355.3
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 Neoflavonoids Subclass Neoflavones Intermediate Tree Nodes Not available Direct Parent Neoflavones Alternative Parents Phenoxyacetic acid derivatives Coumarins and derivatives 1-benzopyrans Nitrobenzenes Nitroaromatic compounds Pyranones and derivatives Alkyl aryl ethers Heteroaromatic compounds Methyl esters Lactones Monocarboxylic acids and derivatives Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organonitrogen compounds Hydrocarbon derivatives Organopnictogen compounds Carbonyl compounds Organic oxides Molecular Framework Aromatic heteropolycyclic compounds Substituents 4-phenylcoumarin - Coumarin - Phenoxyacetate - Benzopyran - 1-benzopyran - Nitrobenzene - Nitroaromatic compound - Alkyl aryl ether - Pyranone - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Lactone - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Organopnictogen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as neoflavones. These are neoflavonoids with a structure based on the 4-phenylcoumarin skeleton. 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 355.300 g/mol XLogP3 2.800 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 7 Rotatable Bond Count 5 Exact Mass 355.069 Da Monoisotopic Mass 355.069 Da Topological Polar Surface Area 108.000 Ų Heavy Atom Count 26 Formal Charge 0 Complexity 597.000 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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