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· · COA & SDS available for every product · Same-day shipping on in-stock items 3-Methyl-5,6-dihydro-1,4-dioxine-2-carboxylic acid - Reagent grade , CAS No.135813-44-4
GRADE & PURITY Reagent Grade ? General reagent-grade purity suitable for most laboratory work. Use as a dependable default when no specific higher grade is required. Synonyms
SCHEMBL8930221 | AKOS006280532 | WZTMMYVTLOVLJI-UHFFFAOYSA-N | BS-36852 | MFCD08059728 | 3-Methyl-5,6-dihydro-1,4-dioxine-2-carboxylic acid | CHEMBRDG-BB 4002786 | 5,6-dihydro-3-methyl-1,4-dioxin-2-carboxylic acid | 3-Methyl-5,6-dihydro-1,4-dioxine-2-carb
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Why this grade Reagent grade Reagent 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
SCHEMBL8930221 | AKOS006280532 | WZTMMYVTLOVLJI-UHFFFAOYSA-N | BS-36852 | MFCD08059728 | 3-Methyl-5, 6-dihydro-1, 4-dioxine-2-carboxylic acid | CHEMBRDG-BB 4002786 | 5, 6-dihydro-3-methyl-1, 4-dioxin-2-carboxylic acid | 3-Methyl-5, 6-dihydro-1, 4-dioxine-2-carb
Specifications & Purity
Reagent grade
Legal Information
Product of ChemBridge Corp.
Names and Identifiers Canonical Smiles CC1=C(OCCO1)C(=O)O IUPAC Name 6-methyl-2,3-dihydro-1,4-dioxine-5-carboxylic acid InChIKey WZTMMYVTLOVLJI-UHFFFAOYSA-N INCHI 1S/C6H8O4/c1-4-5(6(7)8)10-3-2-9-4/h2-3H2,1H3,(H,7,8) Isomeric SMILES CC1=C(OCCO1)C(=O)O Molecular Weight 144.12 Reaxy-Rn 8049968 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8049968&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 Organoheterocyclic compounds Class Dioxins Subclass Para dioxins Intermediate Tree Nodes Not available Direct Parent Para dioxins Alternative Parents Vinylogous esters Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aliphatic heteromonocyclic compounds Substituents Para-dioxin - Vinylogous ester - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as para dioxins. These are compounds containing a para dioxin moiety, which consists of an unsaturated six-member ring with two oxygen atoms at positions 1 and 4, as well as two CC double bonds. 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 Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 144.120 g/mol XLogP3 0.300 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 1 Exact Mass 144.042 Da Monoisotopic Mass 144.042 Da Topological Polar Surface Area 55.800 Ų Heavy Atom Count 10 Formal Charge 0 Complexity 182.000 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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