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2-OXOCYCLOHEXANEGLYOXYLIC ACID ETHYL ESTER - ≥97%, high purity , CAS No.5396-14-5

COA

Grade & Purity:

≥97%

Cas Number: 5396-14-5
Molecular Weight: 198.22
PubChem CID: 219637

In stock

Item Number

O696371

Grouped product items
SKU	Size	Availability	Price
O696371-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$243.90
O696371-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$405.90
O696371-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$809.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 1,3-dicarbonyl compounds
        Level6 Beta-diketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	1,3-dicarbonyl compounds
Direct Parent	Beta-diketones
Alternative Parents	Alpha-keto acids and derivatives Cyclic ketones Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	1,3-diketone - Keto acid - Alpha-keto acid - Cyclic ketone - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as beta-diketones. These are organic compounds containing two keto groups separated by a single carbon atom.
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	ethyl 2-oxo-2-(2-oxocyclohexyl)acetate
INCHI	InChI=1S/C10H14O4/c1-2-14-10(13)9(12)7-5-3-4-6-8(7)11/h7H,2-6H2,1H3
InChIKey	SIQOFNOENHOIFT-UHFFFAOYSA-N
Smiles	CCOC(=O)C(=O)C1CCCCC1=O
Isomeric SMILES	CCOC(=O)C(=O)C1CCCCC1=O
PubChem CID	219637
Molecular Weight	198.22

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	198.220 g/mol
XLogP3	1.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	198.089 Da
Monoisotopic Mass	198.089 Da
Topological Polar Surface Area	60.400 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	257.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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