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trans-4-ethynylcyclohexan-1-ol - 97%, high purity , CAS No.1346526-64-4

COA

Grade & Purity:

≥97%

Cas Number: 1346526-64-4
Molecular Weight: 124.18
MDL number: MFCD22381567
PubChem CID: 22074297

In stock

Item Number

T628406

Grouped product items
SKU	Size	Availability	Price
T628406-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$218.90
T628406-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$349.90
T628406-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$581.90
T628406-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,048.90

Basic Description

Synonyms	DTXSID80622284 \| 4-Ethynylcyclohexanol \| SCHEMBL14738486 \| 1346526-64-4 \| trans-4-Ethynylcyclohexan-1-ol \| trans-4-ethynylcyclohexanol \| MFCD22381567 \| P18956 \| XZDCGONRANCJLK-ZKCHVHJHSA-N \| 4-Ethynylcyclohexan-1-ol \| Cis-4-Ethynylcyclohexanol \| SCHEMBL45
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Alcohols and polyols
      - Level5 Secondary alcohols
        Level6 Cyclohexanols

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Alcohols and polyols
Intermediate Tree Nodes	Secondary alcohols
Direct Parent	Cyclohexanols
Alternative Parents	Cyclic alcohols and derivatives Acetylides Hydrocarbon derivatives
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Cyclohexanol - Cyclic alcohol - Acetylide - Hydrocarbon derivative - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as cyclohexanols. These are compounds containing an alcohol group attached to a cyclohexane ring.
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-ethynylcyclohexan-1-ol
INCHI	InChI=1S/C8H12O/c1-2-7-3-5-8(9)6-4-7/h1,7-9H,3-6H2
InChIKey	XZDCGONRANCJLK-UHFFFAOYSA-N
Smiles	C#CC1CCC(CC1)O
Isomeric SMILES	C#CC1CCC(CC1)O
Alternate CAS	141895-72-9
PubChem CID	22074297
Molecular Weight	124.18

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	124.180 g/mol
XLogP3	1.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	124.089 Da
Monoisotopic Mass	124.089 Da
Topological Polar Surface Area	20.200 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	123.000
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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