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· · COA & SDS available for every product · Same-day shipping on in-stock items 3-Methyl-4,5-dihydro-5-isoxazolecarboxylic acid - ≥95% , CAS No.473700-52-6
Synonyms
EN300-92447 | STK506111 | Z1198309057 | AKOS000303345 | AS-49335 | 3-methyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid | MFCD11048467 | DTXSID00475678 | 3-Methyl-4,5-dihydro-1,2-oxazole-5-carboxylicacid | SCHEMBL5793246 | 3-METHYL-4,5-DIHYDRO-5-ISOXAZOLECA
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Why this grade ≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Normal 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
EN300-92447 | STK506111 | Z1198309057 | AKOS000303345 | AS-49335 | 3-methyl-4, 5-dihydro-1, 2-oxazole-5-carboxylic acid | MFCD11048467 | DTXSID00475678 | 3-Methyl-4, 5-dihydro-1, 2-oxazole-5-carboxylicacid | SCHEMBL5793246 | 3-METHYL-4, 5-DIHYDRO-5-ISOXAZOLECA
Specifications & Purity
≥95%
Names and Identifiers Canonical Smiles CC1=NOC(C1)C(=O)O IUPAC Name 3-methyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid InChIKey ADUZMHIDLNHECM-UHFFFAOYSA-N INCHI 1S/C5H7NO3/c1-3-2-4(5(7)8)9-6-3/h4H,2H2,1H3,(H,7,8) Isomeric SMILES CC1=NOC(C1)C(=O)O Molecular Weight 129.11 Reaxy-Rn 41826371 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=41826371&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 Azolines Subclass Isoxazolines Intermediate Tree Nodes Not available Direct Parent Isoxazolines Alternative Parents Oxime ethers Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aliphatic heteromonocyclic compounds Substituents Isoxazoline - Oxime ether - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Aliphatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as isoxazolines. These are compounds containing a five-member unsaturated aliphatic ring, with an oxygen atom adjacent to a nitrogen atoms, and three carbon atoms. 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 129.110 g/mol XLogP3 -0.200 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 1 Exact Mass 129.043 Da Monoisotopic Mass 129.043 Da Topological Polar Surface Area 58.900 Ų Heavy Atom Count 9 Formal Charge 0 Complexity 164.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 1 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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