Ethyl 4-ethoxypicolinate - ≥97% , CAS No.71777-70-3

CAS: 71777-70-3 Cat. No.: E194744 Fórmula: C₁₀H₁₃NO₃ Peso molecular: 195.22

GRADE & PURITY ≥97%

Synonyms

SCHEMBL311880 | DS-15837 | AKOS015891851 | 4-Ethoxy-2-pyridinecarboxylic acid ethyl ester | ETHYL 4-ETHOXY-2-PYRIDINECARBOXYLATE | ethyl 4-ethoxypyridine-2-carboxylate | LJXADWCGSBYCDC-UHFFFAOYSA-N | W17248 | Ethyl4-ethoxypicolinate | 4-Ethoxy-pyridine-2-

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

SCHEMBL311880 | DS-15837 | AKOS015891851 | 4-Ethoxy-2-pyridinecarboxylic acid ethyl ester | ETHYL 4-ETHOXY-2-PYRIDINECARBOXYLATE | ethyl 4-ethoxypyridine-2-carboxylate | LJXADWCGSBYCDC-UHFFFAOYSA-N | W17248 | Ethyl4-ethoxypicolinate | 4-Ethoxy-pyridine-2-

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CCOC1=CC(=NC=C1)C(=O)OCC
• IUPAC Name: ethyl 4-ethoxypyridine-2-carboxylate
• InChIKey: LJXADWCGSBYCDC-UHFFFAOYSA-N
• INCHI: 1S/C10H13NO3/c1-3-13-8-5-6-11-9(7-8)10(12)14-4-2/h5-7H,3-4H2,1-2H3
• Isómeros SMILES: CCOC1=CC(=NC=C1)C(=O)OCC
• Peso molecular: 195.22
• Reaxy-Rn: 474652
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=474652&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinecarboxylic acids
• Alternative Parents: Alkyl aryl ethers Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - Alkyl aryl ether - Heteroaromatic compound - Carboxylic acid ester - Azacycle - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid 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

• Peso molecular: 195.210 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 195.09 Da
• Monoisotopic Mass: 195.09 Da
• Topological Polar Surface Area: 48.400 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 184.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). 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 71777-70-3, the molecular formula is C10H13NO3, and the molecular weight is 195.22 g/mol. InChIKey LJXADWCGSBYCDC-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.