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1-(4-methoxypyridin-3-yl)ethan-1-one - 97%, high purity , CAS No.191725-82-3

COA

Grade & Purity:

≥97%

Cas Number: 191725-82-3
Molecular Weight: 151.16
MDL number: MFCD13189173
PubChem CID: 21835185

In stock

Item Number

E631029

Grouped product items
SKU	Size	Availability	Price
E631029-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$367.90
E631029-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,436.90
E631029-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,871.90

Basic Description

Synonyms	1-(4-METHOXYPYRIDIN-3-YL)ETHANONE \| 191725-82-3 \| 1-(4-METHOXYPYRIDIN-3-YL)ETHAN-1-ONE \| Ethanone, 1-(4-methoxy-3-pyridinyl)- (9CI) \| MFCD13189173 \| 1-(4-Methoxy-3-pyridyl)ethanone \| 3-Acetyl-4-methoxypyridine \| SCHEMBL334854 \| AMY34517 \| CS1683 \| AKOS023
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Ketones
        Level6 Aryl ketones
        Level7 Aryl alkyl ketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones - Aryl ketones
Direct Parent	Aryl alkyl ketones
Alternative Parents	Alkyl aryl ethers Pyridines and derivatives Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Aryl alkyl ketone - Alkyl aryl ether - Pyridine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Ether - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl 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	1-(4-methoxypyridin-3-yl)ethanone
INCHI	InChI=1S/C8H9NO2/c1-6(10)7-5-9-4-3-8(7)11-2/h3-5H,1-2H3
InChIKey	NTAMQFNLCLRRDR-UHFFFAOYSA-N
Smiles	CC(=O)C1=C(C=CN=C1)OC
Isomeric SMILES	CC(=O)C1=C(C=CN=C1)OC
PubChem CID	21835185
Molecular Weight	151.16

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	0.500
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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