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4-Oxocyclohexanecarboxamide - ≥97%, high purity , CAS No.204136-88-9

COA

Grade & Purity:

≥97%

Cas Number: 204136-88-9
PubChem CID: 20782497

In stock

Item Number

O729892

Grouped product items
SKU	Size	Availability	Price
O729892-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$95.90
O729892-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$158.90
O729892-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$401.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Carboxylic acid derivatives
      - Level5 Carboxylic acid amides
        Level6 Primary carboxylic acid amides

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Carboxylic acid derivatives
Intermediate Tree Nodes	Carboxylic acid amides
Direct Parent	Primary carboxylic acid amides
Alternative Parents	Cyclic ketones Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Cyclic ketone - Primary carboxylic acid amide - Ketone - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as primary carboxylic acid amides. These are compounds comprising primary carboxylic acid amide functional group, with the general structure RC(=O)NH2.
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	4-oxocyclohexane-1-carboxamide
INCHI	InChI=1S/C7H11NO2/c8-7(10)5-1-3-6(9)4-2-5/h5H,1-4H2,(H2,8,10)
InChIKey	ACLDPFULPGCZMG-UHFFFAOYSA-N
Smiles	C1CC(=O)CCC1C(=O)N
Isomeric SMILES	C1CC(=O)CCC1C(=O)N
Alternate CAS	204136-88-9
PubChem CID	20782497

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	141.170 g/mol
XLogP3	-0.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	141.079 Da
Monoisotopic Mass	141.079 Da
Topological Polar Surface Area	60.200 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	155.000
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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