ethyl 2-oxo-2-(pyridin-2-yl)acetate - ≥97% , CAS No.55104-63-7

CAS: 55104-63-7 Cat. No.: E176772 Peso molecular: 179.175

GRADE & PURITY ≥97%

Synonyms

ethyl 2-(2-pyridyl)-2-oxoacetate | DTXSID50433728 | ethyl 2-(pyridin-2-yl)-2-oxoacetate | Oxo-pyridin-2-yl-acetic Acid Ethyl Ester | SCHEMBL5479636 | Ethyl 2-Oxo-2-(2-pyridyl)acetate | Ethyl 2-pyridinoylformate | AS-50501 | Ethyl oxo(2-pyridyl)acetate | B

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

ethyl 2-(2-pyridyl)-2-oxoacetate | DTXSID50433728 | ethyl 2-(pyridin-2-yl)-2-oxoacetate | Oxo-pyridin-2-yl-acetic Acid Ethyl Ester | SCHEMBL5479636 | Ethyl 2-Oxo-2-(2-pyridyl)acetate | Ethyl 2-pyridinoylformate | AS-50501 | Ethyl oxo(2-pyridyl)acetate | B

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CCOC(=O)C(=O)C1=CC=CC=N1
• IUPAC Name: ethyl 2-oxo-2-pyridin-2-ylacetate
• InChIKey: RQDSWUCVBZVOSH-UHFFFAOYSA-N
• INCHI: 1S/C9H9NO3/c1-2-13-9(12)8(11)7-5-3-4-6-10-7/h3-6H,2H2,1H3
• Isómeros SMILES: CCOC(=O)C(=O)C1=CC=CC=N1
• Peso molecular: 179.175
• Reaxy-Rn: 7369607
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7369607&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones
• Direct Parent: Aryl ketones
• Alternative Parents: Pyridines and derivatives Alpha-keto acids and derivatives Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl ketone - Pyridine - Keto acid - Alpha-keto acid - Heteroaromatic compound - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aryl ketones. These are organic aromatic compounds that contain a ketone group substituted at one C-atom with an aryl group. They have the generic structure RC(=O)R', where R = aryl group and R'=organyl 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

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive
• Peso molecular: 179.170 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 179.058 Da
• Monoisotopic Mass: 179.058 Da
• Topological Polar Surface Area: 56.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 203.000
• 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