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dimethyl bicyclo[2.1.1]hexane-1,4-dicarboxylate - 97%, high purity , CAS No.42145-38-0

COA

Grade & Purity:

≥97%

Cas Number: 42145-38-0
Molecular Weight: 198.22
PubChem CID: 12743281

In stock

Item Number

D633867

Grouped product items
SKU	Size	Availability	Price
D633867-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$96.90
D633867-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$193.90
D633867-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$322.90
D633867-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$484.90
D633867-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,941.90
D633867-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,881.90

Basic Description

Synonyms	DIMETHYL CIS-BICYCLO[2.1.1]HEXANE-1,4-DICARBOXYLATE \| DTXSID80508690 \| AKOS015940730 \| rel-Dimethyl (1r,4r)-bicyclo[2.1.1]hexane-1,4-dicarboxylate \| SB12457 \| Bicyclo[2.1.1]hexane-1,4-dicarboxylic acid, dimethyl ester \| bicyclo[2.1.1]hexane-1,4-dicarboxyl
Specifications & Purity	≥97%
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[2.1.1]hexane-1,4-dicarboxylate
INCHI	InChI=1S/C10H14O4/c1-13-7(11)9-3-4-10(5-9,6-9)8(12)14-2/h3-6H2,1-2H3
InChIKey	OWFFQFMDATXZDF-UHFFFAOYSA-N
Smiles	COC(=O)C12CCC(C1)(C2)C(=O)OC
Isomeric SMILES	COC(=O)C12CCC(C1)(C2)C(=O)OC
Alternate CAS	42145-38-0
PubChem CID	12743281
Molecular Weight	198.22

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	198.220 g/mol
XLogP3	0.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	198.089 Da
Monoisotopic Mass	198.089 Da
Topological Polar Surface Area	52.600 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	256.000
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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