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4-Oxocyclohexanecarbaldehyde - 95%, high purity , CAS No.96184-81-5

COA

Grade & Purity:

≥95%

Cas Number: 96184-81-5
Molecular Weight: 126.15
PubChem CID: 11170973

In stock

Item Number

O196114

Grouped product items
SKU	Size	Availability	Price	Qty
O196114-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$37.90
O196114-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$124.90

Basic Description

Synonyms	4-oxocyclohexanecarbaldehyde \| 96184-81-5 \| Cyclohexanone-4-carboxaldehyde \| 4-oxocyclohexane-1-carbaldehyde \| 4-formylcyclohexanone \| 4-Oxo-cyclohexanecarboxaldehyde \| CYCLOHEXANECARBOXALDEHYDE, 4-OXO- \| Cyclohexanone-4-carbaldehyde \| SCHEMBL87368 \| DTXSID80457497 \| SFNKUFO
Specifications & Purity	≥95%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Ketones
        Level6 Cyclic ketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones
Direct Parent	Cyclic ketones
Alternative Parents	Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Cyclic ketone - Organic oxide - Hydrocarbon derivative - Aldehyde - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as cyclic ketones. These are organic compounds containing a ketone that is conjugated to a cyclic 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	4-oxocyclohexane-1-carbaldehyde
INCHI	InChI=1S/C7H10O2/c8-5-6-1-3-7(9)4-2-6/h5-6H,1-4H2
InChIKey	SFNKUFOBKQJUEB-UHFFFAOYSA-N
Smiles	C1CC(=O)CCC1C=O
Isomeric SMILES	C1CC(=O)CCC1C=O
Molecular Weight	126.15
Reaxy-Rn	3233702
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3233702&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	126.150 g/mol
XLogP3	-0.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	126.068 Da
Monoisotopic Mass	126.068 Da
Topological Polar Surface Area	34.100 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	119.000
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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