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7-Methyl-1，5-dioxo-1，2，3，5-tetrahydroindolizine-6-carbonitrile - ≥95%, high purity , CAS No.58610-63-2

COA

Grade & Purity:

≥95%

Cas Number: 58610-63-2
PubChem CID: 10921274

In stock

Item Number

M725231

Grouped product items
SKU	Size	Availability	Price
M725231-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$260.90
M725231-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$432.90
M725231-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,242.90

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	Pyridinones Methylpyridines Heteroaromatic compounds Lactams Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Aryl alkyl ketone - Pyridinone - Methylpyridine - Pyridine - Heteroaromatic compound - Lactam - Carbonitrile - Nitrile - Organoheterocyclic compound - Azacycle - Cyanide - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic 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	7-methyl-1,5-dioxo-2,3-dihydroindolizine-6-carbonitrile
INCHI	InChI=1S/C10H8N2O2/c1-6-4-8-9(13)2-3-12(8)10(14)7(6)5-11/h4H,2-3H2,1H3
InChIKey	WAVYZKPFLMIKCX-UHFFFAOYSA-N
Smiles	CC1=C(C(=O)N2CCC(=O)C2=C1)C#N
Isomeric SMILES	CC1=C(C(=O)N2CCC(=O)C2=C1)C#N
Alternate CAS	58610-63-2
PubChem CID	10921274

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	188.180 g/mol
XLogP3	-0.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	188.059 Da
Monoisotopic Mass	188.059 Da
Topological Polar Surface Area	61.200 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	448.000
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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