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Ethyl 5-(cyanomethyl)furan-2-carboxylate - 95%, high purity , CAS No.51129-66-9

COA

Grade & Purity:

≥95%

Cas Number: 51129-66-9
Molecular Weight: 179.17
PubChem CID: 39354641

In stock

Item Number

E589316

Grouped product items
SKU	Size	Availability	Price	Qty
E589316-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$30.90
E589316-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$108.90

Basic Description

Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C,Protected from light,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 Organoheterocyclic compounds
  - Class Furans
    - Subclass Furoic acid and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Furans
Subclass	Furoic acid and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Furoic acid esters
Alternative Parents	Heteroaromatic compounds Carboxylic acid esters Oxacyclic compounds Nitriles Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Furoic acid ester - Heteroaromatic compound - Carboxylic acid ester - Oxacycle - Nitrile - Carbonitrile - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Cyanide - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as furoic acid esters. These are ester derivatives of furoic 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 5-(cyanomethyl)furan-2-carboxylate
INCHI	InChI=1S/C9H9NO3/c1-2-12-9(11)8-4-3-7(13-8)5-6-10/h3-4H,2,5H2,1H3
InChIKey	UWWMGPPIOJFSMF-UHFFFAOYSA-N
Smiles	CCOC(=O)C1=CC=C(O1)CC#N
Isomeric SMILES	CCOC(=O)C1=CC=C(O1)CC#N
Molecular Weight	179.17
Reaxy-Rn	147171
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=147171&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	179.170 g/mol
XLogP3	1.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	179.058 Da
Monoisotopic Mass	179.058 Da
Topological Polar Surface Area	63.200 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	230.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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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