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methyl 3-methylpyridine-4-carboxylate - 97%, high purity , CAS No.116985-92-3

COA

Grade & Purity:

≥97%

Cas Number: 116985-92-3
Molecular Weight: 151.16
PubChem CID: 1501879

In stock

Item Number

M172283

Grouped product items
SKU	Size	Availability	Price	Qty
M172283-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$39.90
M172283-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$114.90

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Pyridines (1259)

Basic Description

Synonyms	116985-92-3 \| methyl 3-methylisonicotinate \| Methyl 3-methylpyridine-4-carboxylate \| METHYL 3-METHYL-4-PYRIDINECARBOXYLATE \| 4-PYRIDINECARBOXYLIC ACID, 3-METHYL-, METHYL ESTER \| MFCD03426295 \| 3-Methylisonicotinic acid methyl ester \| methyl3-methylisonicotinate \| SCHEMBL
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyridines and derivatives
    - Subclass Pyridinecarboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyridines and derivatives
Subclass	Pyridinecarboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Pyridinecarboxylic acids
Alternative Parents	Methylpyridines Methyl esters Heteroaromatic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyridine carboxylic acid - Methylpyridine - Methyl ester - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description	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

Names and Identifiers

IUPAC Name	methyl 3-methylpyridine-4-carboxylate
INCHI	InChI=1S/C8H9NO2/c1-6-5-9-4-3-7(6)8(10)11-2/h3-5H,1-2H3
InChIKey	UWOZODSMOOALPG-UHFFFAOYSA-N
Smiles	CC1=C(C=CN=C1)C(=O)OC
Isomeric SMILES	CC1=C(C=CN=C1)C(=O)OC
Molecular Weight	151.16
Reaxy-Rn	4350444
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4350444&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	151.160 g/mol
XLogP3	1.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	151.063 Da
Monoisotopic Mass	151.063 Da
Topological Polar Surface Area	39.200 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	147.000
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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