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· · COA & SDS available for every product · Same-day shipping on in-stock items Oxonic Acid , CAS No.937-13-3
Synonyms
Oxonic Acid | Oteracil | 5-azaorotic acid | Allantoxanic acid | 4,6-dioxo-1,4,5,6-tetrahydro-1,3,5-triazine-2-carboxylic acid | Oteracil [INN] | Oxonate | 1,4,5,6-tetrahydro-4,6-dioxo-1,3,5-triazine-2-carboxylic acid | 4,6-dioxo-1H-1,3,5-triazine-2-carbox
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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
Oxonic Acid | Oteracil | 5-azaorotic acid | Allantoxanic acid | 4, 6-dioxo-1, 4, 5, 6-tetrahydro-1, 3, 5-triazine-2-carboxylic acid | Oteracil [INN] | Oxonate | 1, 4, 5, 6-tetrahydro-4, 6-dioxo-1, 3, 5-triazine-2-carboxylic acid | 4, 6-dioxo-1H-1, 3, 5-triazine-2-carbox
Product Properties Names and Identifiers Canonical Smiles C1(=NC(=O)NC(=O)N1)C(=O)O IUPAC Name 4,6-dioxo-1H-1,3,5-triazine-2-carboxylic acid InChIKey RYYCJUAHISIHTL-UHFFFAOYSA-N INCHI 1S/C4H3N3O4/c8-2(9)1-5-3(10)7-4(11)6-1/h(H,8,9)(H2,5,6,7,10,11) Isomeric SMILES C1(=NC(=O)NC(=O)N1)C(=O)O PubChem CID 4604 Molecular Weight 157.08
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 Triazines Subclass Triazinones Intermediate Tree Nodes Not available Direct Parent Triazinones Alternative Parents 1,3,5-triazines Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents Triazinone - 1,3,5-triazine - Heteroaromatic compound - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as triazinones. These are compounds containing a triazine ring which bears a ketone group a carbon atom. External Descriptors monocarboxylic acid - 1,3,5-triazines 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 157.080 g/mol XLogP3 -1.000 Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 1 Exact Mass 157.012 Da Monoisotopic Mass 157.012 Da Topological Polar Surface Area 108.000 Ų Heavy Atom Count 11 Formal Charge 0 Complexity 269.000 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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