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1-Methyl-2-oxo-1，2-dihydroquinoline-3-carboxylic acid - ≥95%, high purity , CAS No.67984-94-5

COA

Grade & Purity:

≥95%

Cas Number: 67984-94-5
Molecular Weight: 203.19
PubChem CID: 12415351

In stock

Item Number

M726801

Grouped product items
SKU	Size	Availability	Price	Qty
M726801-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$324.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Quinolines and derivatives
    - Subclass Quinoline carboxylic acids

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Quinolines and derivatives
Subclass	Quinoline carboxylic acids
Intermediate Tree Nodes	Not available
Direct Parent	Quinoline carboxylic acids
Alternative Parents	Hydroquinolones Hydroquinolines Pyridinecarboxylic acids Pyridinones Benzenoids Vinylogous amides Heteroaromatic compounds Lactams Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Quinoline-3-carboxylic acid - Dihydroquinolone - Dihydroquinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Pyridinone - Pyridine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Lactam - Carboxylic acid - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as quinoline carboxylic acids. These are quinolines in which the quinoline ring system is substituted by a carboxyl group at one or more positions.
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

Names and Identifiers

IUPAC Name	1-methyl-2-oxoquinoline-3-carboxylic acid
INCHI	InChI=1S/C11H9NO3/c1-12-9-5-3-2-4-7(9)6-8(10(12)13)11(14)15/h2-6H,1H3,(H,14,15)
InChIKey	DFNCYDFCUVAFDG-UHFFFAOYSA-N
Smiles	CN1C2=CC=CC=C2C=C(C1=O)C(=O)O
Isomeric SMILES	CN1C2=CC=CC=C2C=C(C1=O)C(=O)O
PubChem CID	12415351
Molecular Weight	203.19

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	203.190 g/mol
XLogP3	1.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	203.058 Da
Monoisotopic Mass	203.058 Da
Topological Polar Surface Area	57.600 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	335.000
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

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