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Dimethyl trans-4-Cyclohexene-1,2-dicarboxylate - >98.0%(GC), high purity , CAS No.17673-68-6

COA

Grade & Purity:

≥98%(GC)

Cas Number: 17673-68-6
Molecular Weight: 198.22
PubChem CID: 253379

In stock

Item Number

D155824

Grouped product items
SKU	Size	Availability	Price
D155824-200mg	200mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$36.90
D155824-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$139.90
D155824-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$415.90

View related series

Carboxylate (915) Non heterocyclic block (8163)

Basic Description

Synonyms	dimethyl trans-cyclohex-4-ene-1,2-dioate dimethyl trans-d4-tetrahydrophthalate \| P15476 \| A812255 \| Dimethyl(1R,6R)-cyclohex-3-ene-1,6-dicarboxylate \| SCHEMBL8246813 \| 4-Cyclohexene-1,2-dicarboxylic acid, 1,2-dimethyl ester, (1R,2R)-rel- \| dimethyl rac-(1
Specifications & Purity	≥98%(GC)
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 homomonocyclic compounds
Substituents	Dicarboxylic acid or derivatives - Methyl ester - Carboxylic acid ester - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic 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 (1R,2R)-cyclohex-4-ene-1,2-dicarboxylate
INCHI	InChI=1S/C10H14O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-4,7-8H,5-6H2,1-2H3/t7-,8-/m1/s1
InChIKey	DVVAGRMJGUQHLI-HTQZYQBOSA-N
Smiles	COC(=O)C1CC=CCC1C(=O)OC
Isomeric SMILES	COC(=O)[C@@H]1CC=CC[C@H]1C(=O)OC
Molecular Weight	198.22
Reaxy-Rn	1876401
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1876401&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Refractive Index	1.47
Boil Point(°C)	119°C/8.5mmHg(lit.)
Molecular Weight	198.220 g/mol
XLogP3	1.100
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	231.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
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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