Ethyl 2-oxocyclohexanecarboxylate - ≥95%(GC) , CAS No.1655-07-8

CAS: 1655-07-8 Cat. No.: E124434 分子式: C₉H₁₄O₃ 分子量: 170.21 Beilstein Registry Number: 608356 EC番号: 216-731-5

GRADE & PURITY ≥95%(GC)

Synonyms

ethyl-2-oxocyclohexanecarboxylate | ethyl2-oxocyclohexanecarboxylate | A3669 | (R)-N-(2,3-DIHYDROXYPROPOXY)-3,4-DIFLUORO-2-(2-FLUORO-4-IODOPHENYLAMINO)BENZAMIDE | 2-Oxocyclo-hexanecarboxylic acid, ethyl ester | AKOS016352937 | SCHEMBL276016 | Z104495370 |

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

ethyl-2-oxocyclohexanecarboxylate | ethyl2-oxocyclohexanecarboxylate | A3669 | (R)-N-(2,3-DIHYDROXYPROPOXY)-3,4-DIFLUORO-2-(2-FLUORO-4-IODOPHENYLAMINO)BENZAMIDE | 2-Oxocyclo-hexanecarboxylic acid, ethyl ester | AKOS016352937 | SCHEMBL276016 | Z104495370 |

仕様と純度

≥95%(GC)

保管条件

Room temperature

入荷

Normal

純度

≥95%(GC)

名前と識別子

• パブケム・シド: 488186919
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488186919
• カノニカル・スマイル: CCOC(=O)C1CCCCC1=O
• IUPAC Name: ethyl 2-oxocyclohexane-1-carboxylate
• InChIKey: FGSGHBPKHFDJOP-UHFFFAOYSA-N
• INCHI: 1S/C9H14O3/c1-2-12-9(11)7-5-3-4-6-8(7)10/h7H,2-6H2,1H3
• 異性体SMILES: CCOC(=O)C1CCCCC1=O
• WGKドイツ: 3
• 分子量: 170.21
• Beilstein: 608356
• Reaxy-Rn: 608356
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=608356&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 分類 Organooxygen compounds
      • Subclass Carbonyl compounds

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,3-dicarbonyl compounds
• Alternative Parents: Cyclic ketones Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: 1,3-dicarbonyl compound - Cyclic ketone - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as 1,3-dicarbonyl compounds. These are carbonyl compounds with the generic formula O=C(R)C(H)C(R')=O, where R and R' can be any group.
• 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

• 溶解度: Soluble in water.
• 引火点（°F）: 204.8 °F
• 引火点（°C）: 85°C
• 沸点（°C）: 160°C/99.8mmHg
• 分子量: 170.210 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 170.094 Da
• Monoisotopic Mass: 170.094 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 186.000
• 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

よくある質問

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

This product is supplied at ≥95% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 1655-07-8, the molecular formula is C9H14O3, and the molecular weight is 170.21 g/mol. InChIKey FGSGHBPKHFDJOP-UHFFFAOYSA-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.