Name: 6-Hydroxy-5-methoxynicotinic acid - ≥97% , CAS No.1171919-98-4
Price: 17.9 USD
Availability: InStock

Taxonomic Classification

Taxonomy Tree

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	Dihydropyridinecarboxylic acids and derivatives Pyridinones Alkyl aryl ethers Vinylogous amides Heteroaromatic compounds Lactams Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Dihydropyridinecarboxylic acid derivative - Pyridine carboxylic acid - Alkyl aryl ether - Dihydropyridine - Pyridinone - Hydropyridine - Heteroaromatic compound - Vinylogous amide - Lactam - Ether - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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
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

Estructura 3D

Certificados (CoA, COO, BSE/TSE y tabla de análisis)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Propiedades químicas y físicas

Peso molecular	169.130 g/mol
XLogP3	-0.400
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	169.038 Da
Monoisotopic Mass	169.038 Da
Topological Polar Surface Area	75.600 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	290.000
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

Calculadoras de soluciones

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Reseñas

Sonrisas canónicas	COC1=CC(=CNC1=O)C(=O)O
IUPAC Name	5-methoxy-6-oxo-1H-pyridine-3-carboxylic acid
InChIKey	ZITCWCFJHLJFOA-UHFFFAOYSA-N
INCHI	1S/C7H7NO4/c1-12-5-2-4(7(10)11)3-8-6(5)9/h2-3H,1H3,(H,8,9)(H,10,11)
Isómeros SMILES	COC1=CC(=CNC1=O)C(=O)O
WGK Alemania	3
Peso molecular	169.13
Reaxy-Rn	19697904
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19697904&ln=

6-Hydroxy-5-methoxynicotinic acid - ≥97% , CAS No.1171919-98-4

Specifications