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Methyl 2,4-dioxo-4-(pyridin-4-yl)butanoate - ≥95%, high purity , CAS No.374063-91-9

COA

Grade & Purity:

≥95%

Cas Number: 374063-91-9
Molecular Weight: 207.18
PubChem CID: 2771617

In stock

Item Number

M615751

Grouped product items
SKU	Size	Availability	Price
M615751-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$40.90
M615751-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$67.90
M615751-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$179.90

Basic Description

Synonyms	374063-91-9 \| methyl 2,4-dioxo-4-(pyridin-4-yl)butanoate \| methyl 2,4-dioxo-4-pyridin-4-ylbutanoate \| MFCD06245329 \| SCHEMBL1062957 \| DTXSID90377975 \| WOCFUTQLECHXPN-UHFFFAOYSA-N \| AKOS000118362 \| BS-13999 \| Methyl 2,4-dioxo-4-pyridin-4-ylbtanoate \| CS-0308953 \| EN300-14393 \| E8
Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C,Argon charged
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 Organic acids and derivatives
  - Class Keto acids and derivatives
    - Subclass Gamma-keto acids and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Keto acids and derivatives
Subclass	Gamma-keto acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Gamma-keto acids and derivatives
Alternative Parents	Aryl alkyl ketones Fatty acid esters Beta-diketones Pyridines and derivatives Alpha-keto acids and derivatives Methyl esters Heteroaromatic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Gamma-keto acid - Aryl ketone - Aryl alkyl ketone - Fatty acid ester - 1,3-diketone - Alpha-keto acid - Pyridine - 1,3-dicarbonyl compound - Fatty acyl - Methyl ester - Heteroaromatic compound - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as gamma-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C4 carbon atom.
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 2,4-dioxo-4-pyridin-4-ylbutanoate
INCHI	InChI=1S/C10H9NO4/c1-15-10(14)9(13)6-8(12)7-2-4-11-5-3-7/h2-5H,6H2,1H3
InChIKey	WOCFUTQLECHXPN-UHFFFAOYSA-N
Smiles	COC(=O)C(=O)CC(=O)C1=CC=NC=C1
Isomeric SMILES	COC(=O)C(=O)CC(=O)C1=CC=NC=C1
PubChem CID	2771617
Molecular Weight	207.18

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	207.180 g/mol
XLogP3	0.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	207.053 Da
Monoisotopic Mass	207.053 Da
Topological Polar Surface Area	73.300 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	269.000
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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