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ethyl 2-cyano-4,4-dimethoxybutanoate - 97%, high purity , CAS No.773076-83-8

COA

Grade & Purity:

≥97%

Cas Number: 773076-83-8
Molecular Weight: 201.222
PubChem CID: 53404564

In stock

Item Number

E177417

Grouped product items
SKU	Size	Availability	Price	Qty
E177417-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$15.90
E177417-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$70.90

Discover ethyl 2-cyano-4,4-dimethoxybutanoate by Aladdin Scientific in 97% for only $15.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	ETHYL 2-CYANO-4,4-DIMETHOXYBUTANOATE \| 773076-83-8 \| MFCD06211308 \| SCHEMBL19858945 \| DTXSID40695414 \| YFB07683 \| AKOS025286073 \| AB23292 \| AS-50483 \| SY098050 \| CS-0183650 \| P10342 \| A865303
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

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	Carboxylic acid esters Nitriles Monocarboxylic acids and derivatives Acetals Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Fatty acid ester - Carboxylic acid ester - Acetal - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organopnictogen compound - Aliphatic acyclic 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	ethyl 2-cyano-4,4-dimethoxybutanoate
INCHI	InChI=1S/C9H15NO4/c1-4-14-9(11)7(6-10)5-8(12-2)13-3/h7-8H,4-5H2,1-3H3
InChIKey	QFVOXVBEBBZZLJ-UHFFFAOYSA-N
Smiles	CCOC(=O)C(CC(OC)OC)C#N
Isomeric SMILES	CCOC(=O)C(CC(OC)OC)C#N
Molecular Weight	201.222
Reaxy-Rn	23673580
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23673580&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	201.220 g/mol
XLogP3	0.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	201.1 Da
Monoisotopic Mass	201.1 Da
Topological Polar Surface Area	68.600 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	216.000
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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