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1,4-dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate - 97%, high purity , CAS No.1459-96-7

COA

Grade & Purity:

≥97%

Cas Number: 1459-96-7
Molecular Weight: 226.27
PubChem CID: 2802857

In stock

Item Number

D174290

Grouped product items
SKU	Size	Availability	Price
D174290-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$9.90
D174290-1g	1g	2	$24.90
D174290-5g	5g	2	$49.90
D174290-10g	10g	1	$89.90
D174290-25g	25g	1	$199.90

View related series

ester (85) Organic building blocks (409)

Basic Description

Synonyms	bicyclo[2.2.2]octane-1,4-dicarboxylic acid dimethyl ester \| Bicyclo[2.2.2]octane-1,4-dicarboxylic acid, dimethyl ester \| dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate \| SCHEMBL2445606 \| Bicyclo[2.2.2]octane-1,4-dicarboxylic acid, 1,4-dimethyl ester \| 1,
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Dicarboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Dicarboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Dicarboxylic acids and derivatives
Alternative Parents	Methyl esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic homopolycyclic compounds
Substituents	Dicarboxylic acid or derivatives - Methyl ester - Carboxylic acid ester - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
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	dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate
INCHI	InChI=1S/C12H18O4/c1-15-9(13)11-3-6-12(7-4-11,8-5-11)10(14)16-2/h3-8H2,1-2H3
InChIKey	HDOVTVDGSLEUSK-UHFFFAOYSA-N
Smiles	COC(=O)C12CCC(CC1)(CC2)C(=O)OC
Isomeric SMILES	COC(=O)C12CCC(CC1)(CC2)C(=O)OC
Molecular Weight	226.27
Reaxy-Rn	2123445
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2123445&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

10 results found

Lot Number	Certificate Type	Date	Item
I2418426	Certificate of Analysis	Jun 12, 2024	D174290
I2418435	Certificate of Analysis	Jun 12, 2024	D174290
I2418427	Certificate of Analysis	Jun 12, 2024	D174290
I2418429	Certificate of Analysis	Jun 12, 2024	D174290
I2418431	Certificate of Analysis	Jun 12, 2024	D174290
I2418433	Certificate of Analysis	Jun 12, 2024	D174290
I2418437	Certificate of Analysis	Jun 12, 2024	D174290
I2418439	Certificate of Analysis	Jun 12, 2024	D174290
I2418440	Certificate of Analysis	Jun 12, 2024	D174290
I2418441	Certificate of Analysis	Jun 12, 2024	D174290

Chemical and Physical Properties

Molecular Weight	226.270 g/mol
XLogP3	1.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	226.121 Da
Monoisotopic Mass	226.121 Da
Topological Polar Surface Area	52.600 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	264.000
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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