Diethyl cis-1,2-Cyclohexanedicarboxylate - ≥98%(GC) , CAS No.17351-07-4

CAS: 17351-07-4 Cat. No.: D154131 分子式: C₁₂H₂₀O₄ 分子量: 228.29 Beilstein Registry Number: 9(4)2803

GRADE & PURITY ≥98%(GC)

Synonyms

AS-71898 | T70426 | MFCD03938293 | cis-cyclohexane-1,2-dicarboxylic acid diethyl ester | 1,2-Cyclohexanedicarboxylicacid,1,2-diethyl ester,(1R,2S)-rel- | (1S,2R)-CYCLOHEXANE-1,2-DICARBOXYLIC ACID DIETHYL ESTER | SCHEMBL13011542 | AKOS015914232 | Diethyl c

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

AS-71898 | T70426 | MFCD03938293 | cis-cyclohexane-1,2-dicarboxylic acid diethyl ester | 1,2-Cyclohexanedicarboxylicacid,1,2-diethyl ester,(1R,2S)-rel- | (1S,2R)-CYCLOHEXANE-1,2-DICARBOXYLIC ACID DIETHYL ESTER | SCHEMBL13011542 | AKOS015914232 | Diethyl c

仕様と純度

≥98%(GC)

保管条件

Room temperature

入荷

Normal

純度

≥98%(GC)

名前と識別子

カノニカル・スマイル

CCOC(=O)C1CCCCC1C(=O)OCC

IUPAC Name

diethyl (1R,2S)-cyclohexane-1,2-dicarboxylate

InChIKey

ZTUZDYWYNQDJKR-AOOOYVTPSA-N

INCHI

1S/C12H20O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h9-10H,3-8H2,1-2H3/t9-,10+

異性体SMILES

CCOC(=O)[C@@H]1CCCC[C@@H]1C(=O)OCC

分子量

228.29

Beilstein

9(4)2803

Reaxy-Rn

2117120

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2117120&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 分類 Carboxylic acids and derivatives
      • Subclass Dicarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: Carboxylic acids and derivatives
• Subclass: Dicarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Dicarboxylic acids and derivatives
• Alternative Parents: Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Dicarboxylic acid or derivatives - Carboxylic acid ester - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound
• 説明: 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.

DOI: 10.1186/s13321-016-0174-y

化学的性質と物理的性質

• 屈折率: 1.46
• 沸点（°C）: 119°C/4mmHg(lit.)
• 分子量: 228.280 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 228.136 Da
• Monoisotopic Mass: 228.136 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 223.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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

よくある質問

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 17351-07-4, the molecular formula is C12H20O4, and the molecular weight is 228.29 g/mol. InChIKey ZTUZDYWYNQDJKR-AOOOYVTPSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.