furo[2,3-c]pyridine-2-carboxylic acid - ≥97% , CAS No.112372-15-3

CAS: 112372-15-3 Cat. No.: F680540 Peso molecular: 163.13 Número EC: 810-878-4 PubChem CID: 13803072

GRADE & PURITY ≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

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: C1=CN=CC2=C1C=C(O2)C(=O)O
• IUPAC Name: furo[2,3-c]pyridine-2-carboxylic acid
• InChIKey: WMPIDXCJMDIDQY-UHFFFAOYSA-N
• INCHI: 1S/C8H5NO3/c10-8(11)6-3-5-1-2-9-4-7(5)12-6/h1-4H,(H,10,11)
• Isómeros SMILES: C1=CN=CC2=C1C=C(O2)C(=O)O
• PubChem CID: 13803072
• Peso molecular: 163.13

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Furopyridines
      • Subclass Furo[2,3-c]pyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Furopyridines
• Subclass: Furo[2,3-c]pyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Furo[2,3-c]pyridines
• Alternative Parents: Furoic acids Pyridines and derivatives Heteroaromatic compounds Oxacyclic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Furo[2,3-c]pyridine - Furoic acid or derivatives - Furoic acid - Pyridine - Furan - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Azacycle - Oxacycle - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as furo[2,3-c]pyridines. These are aromatic compounds containing a furopyridine ring system, where the O- and the N-atom are at the 1- and 6- position, respectively.
• 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: 163.130 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 163.027 Da
• Monoisotopic Mass: 163.027 Da
• Topological Polar Surface Area: 63.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 195.000
• 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