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(E)-Ethyl 2-cyano-3-ethoxyacrylate - 99%, high purity , CAS No.42466-67-1

COA

Grade & Purity:

≥99%

Cas Number: 42466-67-1
Molecular Weight: 169.18
PubChem CID: 1715183

In stock

Item Number

E589094

Grouped product items
SKU	Size	Availability	Price
E589094-1g	1g	3	$10.90
E589094-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$26.90
E589094-25g	25g	2	$117.90
E589094-100g	100g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$420.90

Basic Description

Synonyms	AKOS000120675 \| Ethyl .alpha.-(ethoxymethylene)-.alpha.-cyanoacetate \| F0001-2258 \| LS-13436 \| EINECS 202-299-5 \| 2-Propenoic acid, 2-cyano-3-ethoxy-, ethyl ester, (2E)- \| ethyl 2-cyano-3-ethoxy-2-propenoate \| Ethyl (2E)-2-cyano-3-ethoxy-2-propenoate \| Et
Specifications & Purity	≥99%
Storage Temp	Store at 2-8°C,Argon charged
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 Organic acids and derivatives
  - Class Vinylogous esters

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Vinylogous esters
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Vinylogous esters
Alternative Parents	Enoate esters Nitriles Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Vinylogous ester - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Carbonyl group - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as vinylogous esters. These are organic compounds containing an ester group, which is indirectly attached to a carbonyl via an intervening vinyl (>C=C<) moiety.
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 (E)-2-cyano-3-ethoxyprop-2-enoate
INCHI	InChI=1S/C8H11NO3/c1-3-11-6-7(5-9)8(10)12-4-2/h6H,3-4H2,1-2H3/b7-6+
InChIKey	KTMGNAIGXYODKQ-VOTSOKGWSA-N
Smiles	CCOC=C(C#N)C(=O)OCC
Isomeric SMILES	CCO/C=C(\C#N)/C(=O)OCC
Molecular Weight	169.18
Reaxy-Rn	878814
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=878814&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot Number	Certificate Type	Date	Item
I2320601	Certificate of Analysis	Sep 05, 2023	E589094
I2320602	Certificate of Analysis	Sep 05, 2023	E589094
I2320599	Certificate of Analysis	Sep 05, 2023	E589094
I2320600	Certificate of Analysis	Sep 05, 2023	E589094

Chemical and Physical Properties

Molecular Weight	169.180 g/mol
XLogP3	1.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	169.074 Da
Monoisotopic Mass	169.074 Da
Topological Polar Surface Area	59.300 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	224.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	1
Covalently-Bonded Unit Count	1

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