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4-hydroxybicyclo[2.2.2]octane-1-carbaldehyde - 97%, high purity , CAS No.878792-30-4

COA

Grade & Purity:

≥97%

Cas Number: 878792-30-4
Molecular Weight: 154.21
EC Number: 813-064-7
MDL number: MFCD11110682
PubChem CID: 53249792

In stock

Item Number

H634866

Grouped product items
SKU	Size	Availability	Price
H634866-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$266.90
H634866-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$426.90
H634866-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$711.90
H634866-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,281.90

Basic Description

Synonyms	A903621 \| AC-31331 \| DTXSID80693035 \| 4-HYDROXY-BICYCLO[2.2.2]OCTANE-1-CARBALDEHYDE \| 4-Hydroxybicyclo[2.2.2]octane-1-carbaldehyde \| AS-66139 \| SCHEMBL5263192 \| 4-HYDROXY-BICYCLO[2.2.2]OCTANE-1-CARBOXALDEHYDE \| 4-hydroxybicyclo[2.2.2]octane-1-carboxaldehy
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 Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework	Aliphatic homopolycyclic compounds
Substituents	Tertiary alcohol - Cyclic alcohol - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aldehyde - 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	4-hydroxybicyclo[2.2.2]octane-1-carbaldehyde
INCHI	InChI=1S/C9H14O2/c10-7-8-1-4-9(11,5-2-8)6-3-8/h7,11H,1-6H2
InChIKey	FHELOQCALDEPNY-UHFFFAOYSA-N
Smiles	C1CC2(CCC1(CC2)C=O)O
Isomeric SMILES	C1CC2(CCC1(CC2)C=O)O
Alternate CAS	878792-30-4
PubChem CID	53249792
Molecular Weight	154.21

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	154.210 g/mol
XLogP3	0.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	154.099 Da
Monoisotopic Mass	154.099 Da
Topological Polar Surface Area	37.300 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	161.000
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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