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· · COA & SDS available for every product · Same-day shipping on in-stock items Benzoic acid 2-oxo-2H-chromen-7-yl ester , CAS No.31005-05-7
Synonyms
2-oxo-2H-chromen-7-yl benzoate | Benzoic acid 2-oxo-2H-chromen-7-yl ester | (2-oxochromen-7-yl) benzoate | 7-benzoyloxy-coumarin | 7-(Benzoyloxy)-2H-1-benzopyran-2-one | ChemDiv3_001862 | Oprea1_099598 | Oprea1_399476 | MLS001209497 | DTXSID701288808 | HM
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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
2-oxo-2H-chromen-7-yl benzoate | Benzoic acid 2-oxo-2H-chromen-7-yl ester | (2-oxochromen-7-yl) benzoate | 7-benzoyloxy-coumarin | 7-(Benzoyloxy)-2H-1-benzopyran-2-one | ChemDiv3_001862 | Oprea1_099598 | Oprea1_399476 | MLS001209497 | DTXSID701288808 | HM
Product Properties Names and Identifiers Canonical Smiles C1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C=CC(=O)O3 IUPAC Name (2-oxochromen-7-yl) benzoate InChIKey DKDPSSSGXHEHAK-UHFFFAOYSA-N INCHI 1S/C16H10O4/c17-15-9-7-11-6-8-13(10-14(11)20-15)19-16(18)12-4-2-1-3-5-12/h1-10H Isomeric SMILES C1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C=CC(=O)O3 Molecular Weight 266.25 Reaxy-Rn 231417 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=231417&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 Benzoic acid esters 1-benzopyrans Benzoyl derivatives Pyranones and derivatives Heteroaromatic compounds Lactones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organooxygen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Coumarin - Benzoate ester - Benzopyran - 1-benzopyran - Benzoic acid or derivatives - Benzoyl - Pyranone - Monocyclic benzene moiety - Benzenoid - Pyran - Heteroaromatic compound - Carboxylic acid ester - Lactone - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - 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 266.250 g/mol XLogP3 3.300 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 3 Exact Mass 266.058 Da Monoisotopic Mass 266.058 Da Topological Polar Surface Area 52.600 Ų Heavy Atom Count 20 Formal Charge 0 Complexity 409.000 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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