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5，6-Dimethoxy-2-(pyridin-4-ylmethylene)-2，3-dihydro-1H-inden-1-one - ≥98%, high purity , CAS No.4803-74-1

COA

Grade & Purity:

≥98%

Cas Number: 4803-74-1
Molecular Weight: 281.3
PubChem CID: 11572727

In stock

Item Number

D690793

Grouped product items
SKU	Size	Availability	Price
D690793-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$39.90
D690793-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$146.90
D690793-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$237.90
D690793-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$432.90
D690793-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,367.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Indanes
    - Subclass Indanones

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Indanes
Subclass	Indanones
Intermediate Tree Nodes	Not available
Direct Parent	Indanones
Alternative Parents	Aryl ketones Anisoles Alkyl aryl ethers Pyridines and derivatives Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Indanone - Anisole - Phenol ether - Aryl ketone - Alkyl aryl ether - Pyridine - Heteroaromatic compound - Ketone - Organoheterocyclic compound - Ether - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as indanones. These are compounds containing an indane ring bearing a ketone 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	(2E)-5,6-dimethoxy-2-(pyridin-4-ylmethylidene)-3H-inden-1-one
INCHI	InChI=1S/C17H15NO3/c1-20-15-9-12-8-13(7-11-3-5-18-6-4-11)17(19)14(12)10-16(15)21-2/h3-7,9-10H,8H2,1-2H3/b13-7+
InChIKey	SUVQWDLUAIFZKM-NTUHNPAUSA-N
Smiles	COC1=C(C=C2C(=C1)CC(=CC3=CC=NC=C3)C2=O)OC
Isomeric SMILES	COC1=C(C=C2C(=C1)C/C(=C\C3=CC=NC=C3)/C2=O)OC
Alternate CAS	4803-74-1
PubChem CID	11572727
Molecular Weight	281.3

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	281.300 g/mol
XLogP3	2.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	281.105 Da
Monoisotopic Mass	281.105 Da
Topological Polar Surface Area	48.400 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	414.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	1
Covalently-Bonded Unit Count	1

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