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· · COA & SDS available for every product · Same-day shipping on in-stock items 1,1-Cyclobutanedicarboxylic acid - ≥99% , CAS No.5445-51-2
Synonyms
1,1-Cyclobutanedicarboxylic acid | Cyclobutanedicarboxylic acid | Cyclobutane-1,1-dicarboxylic acid | 1,1-dicarboxylcyclobutane | 1,1-Cyclobutyl dicarboxylic acid
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Why this grade ≥99% 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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
1, 1-Cyclobutanedicarboxylic acid | Cyclobutanedicarboxylic acid | Cyclobutane-1, 1-dicarboxylic acid | 1, 1-dicarboxylcyclobutane | 1, 1-Cyclobutyl dicarboxylic acid
Specifications & Purity
≥99%
Names and Identifiers Canonical Smiles C1CC(C1)(C(=O)O)C(=O)O IUPAC Name cyclobutane-1,1-dicarboxylic acid InChIKey CCQPAEQGAVNNIA-UHFFFAOYSA-N INCHI 1S/C6H8O4/c7-4(8)6(5(9)10)2-1-3-6/h1-3H2,(H,7,8)(H,9,10) Isomeric SMILES C1CC(C1)(C(=O)O)C(=O)O WGK Germany 3 UN Number 3261 Molecular Weight 144.13 Beilstein 2046031 Reaxy-Rn 2046031 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2046031&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 Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aliphatic homomonocyclic compounds Substituents Dicarboxylic acid or derivatives - Carboxylic acid - 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 cyclobutanedicarboxylic acid 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 Melt Point(°C) 158°C Molecular Weight 144.120 g/mol XLogP3 0.400 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 2 Exact Mass 144.042 Da Monoisotopic Mass 144.042 Da Topological Polar Surface Area 74.600 Ų Heavy Atom Count 10 Formal Charge 0 Complexity 164.000 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
Citations of This Product References 1. Lihua Chen, Pan Zhao, Jing Yang, Xiali Liao, Bo Yang, Chuanzhu Gao. (2022) Synthesis, characterization, and antitumor biological evaluation of novel fluorine-containing platinum (IV) complexes. APPLIED ORGANOMETALLIC CHEMISTRY, 36 (7): (e6759). [PMID: [10.1002/aoc.6759 ] 2. Chunyan Jia, Yanwei Cong, Shaoping Pu, Linxiang Cai, Yunshuang Zhong, Xinzhong Zhang, Xiali Liao, Yamin Li, Bo Yang, Chuanzhu Gao. (2020) Synthesis, characterization, and biological activity of new mixed ammine/amine platinum(IV) complexes. APPLIED ORGANOMETALLIC CHEMISTRY, 34 (8): (e5680). [PMID: [10.1002/aoc.5680 ]
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