Methyl 4-hydroxyquinoline-2-carboxylate - ≥95% , CAS No.5965-59-3

CAS: 5965-59-3 Cat. No.: M185467 Peso molecular: 203.2

GRADE & PURITY ≥95%

Synonyms

2-Quinolinecarboxylic acid, 4-hydroxy-, methyl ester | F3382-6755 | SY003849 | FT-0707370 | Z98300469 | A832403 | methyl 4-oxo-1,4-dihydroquinoline-2-carboxylate | AC-7065 | Methyl4-Hydroxyquinoline-2-carboxylate | STL145034 | DTXSID50356286 | EN300-11267

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

2-Quinolinecarboxylic acid, 4-hydroxy-, methyl ester | F3382-6755 | SY003849 | FT-0707370 | Z98300469 | A832403 | methyl 4-oxo-1, 4-dihydroquinoline-2-carboxylate | AC-7065 | Methyl4-Hydroxyquinoline-2-carboxylate | STL145034 | DTXSID50356286 | EN300-11267

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 488191566
• Sonrisas canónicas: COC(=O)C1=CC(=O)C2=CC=CC=C2N1
• IUPAC Name: methyl 4-oxo-1H-quinoline-2-carboxylate
• InChIKey: RMPKIWQIHSVNCB-UHFFFAOYSA-N
• INCHI: 1S/C11H9NO3/c1-15-11(14)9-6-10(13)7-4-2-3-5-8(7)12-9/h2-6H,1H3,(H,12,13)
• Isómeros SMILES: COC(=O)C1=CC(=O)C2=CC=CC=C2N1
• Peso molecular: 203.2
• Reaxy-Rn: 476928
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=476928&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Quinolines and derivatives
      • Subclass Quinolones and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Quinolines and derivatives
• Subclass: Quinolones and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroquinolones
• Alternative Parents: Hydroquinolines Pyridinecarboxylic acids Benzenoids Vinylogous amides Methyl esters Heteroaromatic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dihydroquinolone - Dihydroquinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Pyridine - Benzenoid - Methyl ester - Heteroaromatic compound - Vinylogous amide - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as hydroquinolones. These are compounds containing a hydrogenated quinoline bearing a ketone 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: 203.190 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 203.058 Da
• Monoisotopic Mass: 203.058 Da
• Topological Polar Surface Area: 55.400 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 322.000
• 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