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· · COA & SDS available for every product · Same-day shipping on in-stock items 1,1-diethyl 3-oxocyclobutane-1,1-dicarboxylate - ≥97% , CAS No.99173-61-2
Synonyms
SB11001 | ZDA17361 | MFCD20928423 | SCHEMBL3147434 | AKOS010209398 | diethyl 3-oxo-cyclobutane-1,1-dicarboxylate | diethyl 3-oxocyclobutane-1,1-dicarboxylate | RNEYQVYRVAVAIF-UHFFFAOYSA-N | SY098887 | DTXSID10563393 | 1,1-Cyclobutanedicarboxylic acid, 3-o
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Why this grade ≥97% 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
SB11001 | ZDA17361 | MFCD20928423 | SCHEMBL3147434 | AKOS010209398 | diethyl 3-oxo-cyclobutane-1, 1-dicarboxylate | diethyl 3-oxocyclobutane-1, 1-dicarboxylate | RNEYQVYRVAVAIF-UHFFFAOYSA-N | SY098887 | DTXSID10563393 | 1, 1-Cyclobutanedicarboxylic acid, 3-o
Specifications & Purity
≥97%
Names and Identifiers Canonical Smiles CCOC(=O)C1(CC(=O)C1)C(=O)OCC IUPAC Name diethyl 3-oxocyclobutane-1,1-dicarboxylate InChIKey RNEYQVYRVAVAIF-UHFFFAOYSA-N INCHI 1S/C10H14O5/c1-3-14-8(12)10(5-7(11)6-10)9(13)15-4-2/h3-6H2,1-2H3 Isomeric SMILES CCOC(=O)C1(CC(=O)C1)C(=O)OCC Molecular Weight 214.217 Reaxy-Rn 3305896 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3305896&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 Organic acids and derivatives Class Carboxylic acids and derivatives Subclass Dicarboxylic acids and derivatives Intermediate Tree Nodes Not available Direct Parent Dicarboxylic acids and derivatives Alternative Parents Cyclic ketones Carboxylic acid esters Organic oxides Hydrocarbon derivatives Molecular Framework Aliphatic homomonocyclic compounds Substituents Dicarboxylic acid or derivatives - Cyclic ketone - Ketone - Carboxylic acid ester - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups. 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 214.210 g/mol XLogP3 0.200 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 6 Exact Mass 214.084 Da Monoisotopic Mass 214.084 Da Topological Polar Surface Area 69.700 Ų Heavy Atom Count 15 Formal Charge 0 Complexity 266.000 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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