5,6-Dimethoxypicolinic acid , CAS No.324028-89-9

CAS: 324028-89-9 Cat. No.: D169568 Fórmula: C₈H₉NO₄ Peso molecular: 183.16 Número EC: 887-473-4

Synonyms

5,6-Dimethoxypicolinicacid | SB54113 | BB 0261629 | MFCD11857648 | AKOS006344563 | BS-28286 | EN300-2910523 | 5,6-dimethoxypyridine-2-carboxylic acid | 5,6-Dimethoxypicolinic acid, AldrichCPR | 5,6-Dimethoxypicolinic acid | SCHEMBL7234015 | ZMA02889 | Z12

Storage

Room temperature

Shipped In

Normal

Especificaciones

Sinónimos

5,6-Dimethoxypicolinicacid | SB54113 | BB 0261629 | MFCD11857648 | AKOS006344563 | BS-28286 | EN300-2910523 | 5,6-dimethoxypyridine-2-carboxylic acid | 5,6-Dimethoxypicolinic acid, AldrichCPR | 5,6-Dimethoxypicolinic acid | SCHEMBL7234015 | ZMA02889 | Z12

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Nombres e identificadores

Sonrisas canónicas

COC1=C(N=C(C=C1)C(=O)O)OC

IUPAC Name

5,6-dimethoxypyridine-2-carboxylic acid

InChIKey

KUYQYZCJTXNORX-UHFFFAOYSA-N

INCHI

1S/C8H9NO4/c1-12-6-4-3-5(8(10)11)9-7(6)13-2/h3-4H,1-2H3,(H,10,11)

Isómeros SMILES

COC1=C(N=C(C=C1)C(=O)O)OC

Peso molecular

183.16

Reaxy-Rn

176643

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=176643&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives
        • Level5 Pyridinecarboxylic acids
          • Level6 Pyridine-2-carboxylic acids
            • Level7 5-alkoxy-2-carboxypyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Pyridinecarboxylic acids - Pyridine-2-carboxylic acids
• Direct Parent: 5-alkoxy-2-carboxypyrimidines
• Alternative Parents: Alkyl aryl ethers Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 5-alkoxy-2-carboxypyrimidine - Alkyl aryl ether - Heteroaromatic compound - Azacycle - Ether - Carboxylic acid - 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 5-alkoxy-2-carboxypyrimidines. These are pyrimidine-2-carboxylic acids that carry an alkoxy substituent at the 5-position of the pyridine ring.
• 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: 183.160 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 183.053 Da
• Monoisotopic Mass: 183.053 Da
• Topological Polar Surface Area: 68.700 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 185.000
• 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

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 324028-89-9, the molecular formula is C8H9NO4, and the molecular weight is 183.16 g/mol. InChIKey KUYQYZCJTXNORX-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.