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2-Carbethoxy-3-(2-thienyl)propionic acid - ≥98%, high purity , CAS No.143468-96-6

COA

Grade & Purity:

≥98%

Cas Number: 143468-96-6
Molecular Weight: 228.27
PubChem CID: 14952883

In stock

Item Number

C728163

Grouped product items
SKU	Size	Availability	Price
C728163-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$315.90
C728163-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$473.90
C728163-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,183.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Fatty Acyls
    - Subclass Fatty acid esters

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Fatty Acyls
Subclass	Fatty acid esters
Intermediate Tree Nodes	Not available
Direct Parent	Fatty acid esters
Alternative Parents	Dicarboxylic acids and derivatives 1,3-dicarbonyl compounds Thiophenes Heteroaromatic compounds Carboxylic acid esters Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Fatty acid ester - 1,3-dicarbonyl compound - Dicarboxylic acid or derivatives - Heteroaromatic compound - Thiophene - Carboxylic acid ester - Organoheterocyclic compound - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
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	3-ethoxy-3-oxo-2-(thiophen-2-ylmethyl)propanoic acid
INCHI	InChI=1S/C10H12O4S/c1-2-14-10(13)8(9(11)12)6-7-4-3-5-15-7/h3-5,8H,2,6H2,1H3,(H,11,12)
InChIKey	PMJNEQWWZRSFCE-UHFFFAOYSA-N
Smiles	CCOC(=O)C(CC1=CC=CS1)C(=O)O
Isomeric SMILES	CCOC(=O)C(CC1=CC=CS1)C(=O)O
PubChem CID	14952883
Molecular Weight	228.27

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	228.270 g/mol
XLogP3	1.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	228.046 Da
Monoisotopic Mass	228.046 Da
Topological Polar Surface Area	91.800 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	242.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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