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6-Acetyaminochroman-4-one - ≥98%, high purity , CAS No.103646-29-3

COA

Grade & Purity:

≥98%

Cas Number: 103646-29-3
Molecular Weight: 205.21
PubChem CID: 40468294

In stock

Item Number

A731872

Grouped product items
SKU	Size	Availability	Price	Qty
A731872-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,445.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzopyrans
    - Subclass 1-benzopyrans

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzopyrans
Subclass	1-benzopyrans
Intermediate Tree Nodes	Not available
Direct Parent	Chromones
Alternative Parents	N-acetylarylamines Aryl alkyl ketones Alkyl aryl ethers Benzenoids Acetamides Secondary carboxylic acid amides Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Chromone - N-acetylarylamine - N-arylamide - Aryl ketone - Aryl alkyl ketone - Alkyl aryl ether - Benzenoid - Acetamide - Carboxamide group - Ketone - Secondary carboxylic acid amide - Oxacycle - Carboxylic acid derivative - Ether - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as chromones. These are compounds containing a benzopyran-4-one moiety.
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	N-(4-oxo-2,3-dihydrochromen-6-yl)acetamide
INCHI	InChI=1S/C11H11NO3/c1-7(13)12-8-2-3-11-9(6-8)10(14)4-5-15-11/h2-3,6H,4-5H2,1H3,(H,12,13)
InChIKey	IASWWLNIFLMDBI-UHFFFAOYSA-N
Smiles	CC(=O)NC1=CC2=C(C=C1)OCCC2=O
Isomeric SMILES	CC(=O)NC1=CC2=C(C=C1)OCCC2=O
PubChem CID	40468294
Molecular Weight	205.21

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	205.210 g/mol
XLogP3	0.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	205.074 Da
Monoisotopic Mass	205.074 Da
Topological Polar Surface Area	55.400 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	277.000
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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