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bicyclo[2.2.2]octane-1,4-diol - 97%, high purity , CAS No.1194-44-1

COA

Grade & Purity:

≥97%

Cas Number: 1194-44-1
Molecular Weight: 142.2
PubChem CID: 559236

In stock

Item Number

B627254

Grouped product items
SKU	Size	Availability	Price
B627254-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$302.90
B627254-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$484.90
B627254-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$807.90
B627254-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,455.90

Basic Description

Synonyms	AS-78403 \| SCHEMBL9306212 \| MFCD00213487 \| Bicyclo[2.2.2]octane-1,4-diol \| 1,4-bicyclo[2.2.2]octane diol \| BHSZKPHKWKSMKX-UHFFFAOYSA-N \| P18815 \| 1,4-Dihydroxybicyclo[2.2.2]octane \| BICYCLO(2.2.2)OCTANE-1,4-DIOL \| AKOS024337711 \| DTXSID80339865
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Alcohols and polyols

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Alcohols and polyols
Intermediate Tree Nodes	Not available
Direct Parent	Tertiary alcohols
Alternative Parents	Cyclic alcohols and derivatives Hydrocarbon derivatives
Molecular Framework	Aliphatic homopolycyclic compounds
Substituents	Tertiary alcohol - Cyclic alcohol - Hydrocarbon derivative - Aliphatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as tertiary alcohols. These are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ).
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	bicyclo[2.2.2]octane-1,4-diol
INCHI	InChI=1S/C8H14O2/c9-7-1-2-8(10,5-3-7)6-4-7/h9-10H,1-6H2
InChIKey	BHSZKPHKWKSMKX-UHFFFAOYSA-N
Smiles	C1CC2(CCC1(CC2)O)O
Isomeric SMILES	C1CC2(CCC1(CC2)O)O
Alternate CAS	1194-44-1
PubChem CID	559236
Molecular Weight	142.2

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	142.200 g/mol
XLogP3	0.300
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	142.099 Da
Monoisotopic Mass	142.099 Da
Topological Polar Surface Area	40.500 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	111.000
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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