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Oxiranecarboxylic acid， 2-[6-(4-chlorophenoxy)hexyl]-， ethyl ester， (2S)- - ≥95%, high purity , CAS No.828934-40-3

COA

Grade & Purity:

≥95%

Cas Number: 828934-40-3
Molecular Weight: 326.82
PubChem CID: 60765

In stock

Item Number

O769534

Grouped product items
SKU	Size	Availability	Price	Qty
O769534-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,466.90
O769534-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$5,893.90

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Lipid metabolism (1912)

Basic Description

Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Phenol ethers

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenol ethers
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Phenol ethers
Alternative Parents	Phenoxy compounds Fatty acid esters Chlorobenzenes Alkyl aryl ethers Oxirane carboxylic acids Aryl chlorides Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Phenoxy compound - Phenol ether - Alkyl aryl ether - Chlorobenzene - Fatty acid ester - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Fatty acyl - Oxirane carboxylic acid or derivatives - Oxirane carboxylic acid - Carboxylic acid ester - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Dialkyl ether - Oxirane - Ether - Monocarboxylic acid or derivatives - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
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	ethyl (2S)-2-[6-(4-chlorophenoxy)hexyl]oxirane-2-carboxylate
INCHI	InChI=1S/C17H23ClO4/c1-2-20-16(19)17(13-22-17)11-5-3-4-6-12-21-15-9-7-14(18)8-10-15/h7-10H,2-6,11-13H2,1H3/t17-/m0/s1
InChIKey	DZLOHEOHWICNIL-KRWDZBQOSA-N
Smiles	CCOC(=O)C1(CO1)CCCCCCOC2=CC=C(C=C2)Cl
Isomeric SMILES	CCOC(=O)[C@@]1(CO1)CCCCCCOC2=CC=C(C=C2)Cl
PubChem CID	60765
Molecular Weight	326.82

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	326.800 g/mol
XLogP3	4.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	11
Exact Mass	326.128 Da
Monoisotopic Mass	326.128 Da
Topological Polar Surface Area	48.100 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	342.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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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