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

CAS: 1655-07-8 Cat. No.: E124434 Fórmula: C₉H₁₄O₃ Peso molecular: 170.21 Beilstein Registry Number: 608356 Número CE: 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

Sinónimos

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 |

Especificações e pureza

≥95%(GC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥95%(GC)

Nomes e identificadores

• Pubchem Sid: 488186919
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186919
• Sorrisos canónicos: 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
• SMILES isoméricas: CCOC(=O)C1CCCCC1=O
• WGK Alemanha: 3
• Peso molecular: 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
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• Solubilidade: Soluble in water.
• Ponto de inflamação (°F): 204.8 °F
• Ponto de inflamação (°C): 85°C
• Ponto de ebulição (°C): 160°C/99.8mmHg
• Peso molecular: 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

Perguntas frequentes

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.