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3-ethoxy-3-oxoprop-1-en-1-olate sodium salt - 95%, high purity , CAS No.58986-28-0

COA

Grade & Purity:

≥95%

Cas Number: 58986-28-0
Molecular Weight: 139.1044
PubChem CID: 23663474
PubChem SID: 504769473

In stock

Item Number

E176875

Grouped product items
SKU	Size	Availability	Price
E176875-250mg	250mg	3	$44.90
E176875-500mg	500mg	2	$74.90
E176875-1g	1g	2	$124.90
E176875-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$561.90

Basic Description

Synonyms	Sodium 3-ethoxy-3-oxoprop-1-en-1-olate \| 58986-28-0 \| 287390-25-4 \| 3-ethoxy-3-oxoprop-1-en-1-olate sodium salt \| 863581-67-3 \| sodium;(E)-3-ethoxy-3-oxoprop-1-en-1-olate \| 2-Propenoic acid, 3-hydroxy-, ethyl ester, sodium salt \| SCHEMBL1396130 \| AMY34242 \| AKOS016008941 \| S
Specifications & Purity	≥95%
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 Carboxylic acids and derivatives
    - Subclass Acrylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Acrylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Acrylic acids and derivatives
Alternative Parents	Vinylogous acids Enoate esters Monocarboxylic acids and derivatives Enolates Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework	Aliphatic acyclic compounds
Substituents	Acrylic acid or derivatives - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous acid - Carboxylic acid ester - Enolate - Monocarboxylic acid or derivatives - Organic alkali metal salt - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Carbonyl group - Organic salt - Organic oxygen compound - Organic sodium salt - Organic cation - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as acrylic acids and derivatives. These are organic compounds containing acrylic acid CH2=CHCO2H or a derivative thereof.
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

Pubchem Sid	504769473
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504769473
IUPAC Name	sodium;(E)-3-ethoxy-3-oxoprop-1-en-1-olate
INCHI	InChI=1S/C5H8O3.Na/c1-2-8-5(7)3-4-6;/h3-4,6H,2H2,1H3;/q;+1/p-1/b4-3+;
InChIKey	ITWVTNYFGKFDGE-BJILWQEISA-M
Smiles	CCOC(=O)C=C[O-].[Na+]
Isomeric SMILES	CCOC(=O)/C=C/[O-].[Na+]
Molecular Weight	139.1044
Reaxy-Rn	3710441
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3710441&ln=

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

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

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
F2319033	Certificate of Analysis	May 26, 2023	E176875
F2319038	Certificate of Analysis	May 26, 2023	E176875
F2319039	Certificate of Analysis	May 26, 2023	E176875
F2319034	Certificate of Analysis	May 26, 2023	E176875
F2319041	Certificate of Analysis	May 26, 2023	E176875
F2319037	Certificate of Analysis	May 26, 2023	E176875

Chemical and Physical Properties

Sensitivity	Hygroscopic
Molecular Weight	138.100 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	138.029 Da
Monoisotopic Mass	138.029 Da
Topological Polar Surface Area	49.400 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	100.000
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	2

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