methyl 6-hydroxyquinoline-2-carboxylate (Cas No 429687-75-2) ≥97% high purity and research grade

Sorrisos canónicos	COC(=O)C1=NC2=C(C=C1)C=C(C=C2)O
IUPAC Name	methyl 6-hydroxyquinoline-2-carboxylate
InChIKey	JLJVETNNBYVBKA-UHFFFAOYSA-N
INCHI	1S/C11H9NO3/c1-15-11(14)10-4-2-7-6-8(13)3-5-9(7)12-10/h2-6,13H,1H3
SMILES isoméricas	COC(=O)C1=NC2=C(C=C1)C=C(C=C2)O
CAS alternativo	429687-75-2
PubChem CID	11298635
Peso molecular	203.2

Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Classe	Quinolines and derivatives
Subclass	Hydroxyquinolines
Intermediate Tree Nodes	Not available
Direct Parent	Hydroxyquinolines
Alternative Parents	Pyridinecarboxylic acids 1-hydroxy-2-unsubstituted benzenoids Methyl esters Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Hydroxyquinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyridine - Benzenoid - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Descrição	This compound belongs to the class of organic compounds known as hydroxyquinolines. These are compounds containing a quinoline moiety bearing a hydroxyl 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

Estrutura 3D

Certificados（CoA,COO,BSE/TSE e Mapa de Análise)

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

Analytical Chart:

Propriedades químicas e físicas

Peso molecular	203.190 g/mol
XLogP3	2.000
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	59.400 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	244.000
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 soluções

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Revisões

methyl 6-hydroxyquinoline-2-carboxylate - ≥97% , CAS No.429687-75-2