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1-Methyl-2-oxo-1，2-dihydropyridine-4-carbonitrile - ≥95%, high purity , CAS No.70411-83-5

COA

Grade & Purity:

≥95%

Cas Number: 70411-83-5
Molecular Weight: 134.14
PubChem CID: 11170995

In stock

Item Number

M725646

Grouped product items
SKU	Size	Availability	Price
M725646-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$62.90
M725646-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$143.90
M725646-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$357.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyridines and derivatives
    - Subclass Hydropyridines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyridines and derivatives
Subclass	Hydropyridines
Intermediate Tree Nodes	Not available
Direct Parent	Pyridinones
Alternative Parents	Dihydropyridines Heteroaromatic compounds Lactams Nitriles Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyridinone - Dihydropyridine - Heteroaromatic compound - Lactam - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Organic oxygen compound - Cyanide - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyridinones. These are compounds containing a pyridine ring, which bears a ketone.
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-oxopyridine-4-carbonitrile
INCHI	InChI=1S/C7H6N2O/c1-9-3-2-6(5-8)4-7(9)10/h2-4H,1H3
InChIKey	KTFKAUVXDUNFOB-UHFFFAOYSA-N
Smiles	CN1C=CC(=CC1=O)C#N
Isomeric SMILES	CN1C=CC(=CC1=O)C#N
PubChem CID	11170995
Molecular Weight	134.14

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	134.140 g/mol
XLogP3	-0.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	134.048 Da
Monoisotopic Mass	134.048 Da
Topological Polar Surface Area	44.100 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	267.000
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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