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3-(2-Ethoxy-2-oxoethoxy)phenylboronic acid - 97%, high purity , CAS No.957062-63-4

COA

Grade & Purity:

≥97%

Cas Number: 957062-63-4
Molecular Weight: 224
PubChem CID: 44118793

In stock

Item Number

E188764

Grouped product items
SKU	Size	Availability	Price	Qty
E188764-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$122.90
E188764-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$465.90

Basic Description

Synonyms	957062-63-4 \| (3-(2-Ethoxy-2-oxoethoxy)phenyl)boronic acid \| 3-(2-Ethoxy-2-oxoethoxy)phenylboronic acid \| [3-(2-ethoxy-2-oxoethoxy)phenyl]boronic acid \| 3-(2-Ethoxy-2-oxoethoxy)benzeneboronic acid \| (3-(2-Ethoxy-2-oxoethoxy)phenyl)boronicacid \| SCHEMBL2557974 \| DTXSID5
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Phenoxyacetic acid derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Phenoxyacetic acid derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Phenoxyacetic acid derivatives
Alternative Parents	Phenoxy compounds Phenol ethers Alkyl aryl ethers Carboxylic acid esters Boronic acids Organic metalloid salts Monocarboxylic acids and derivatives Organometalloid compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenoxyacetate - Phenoxy compound - Phenol ether - Alkyl aryl ether - Boronic acid derivative - Boronic acid - Carboxylic acid ester - Organic metalloid salt - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Organic oxygen compound - Organic metalloid moeity - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.
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-(2-ethoxy-2-oxoethoxy)phenyl]boronic acid
INCHI	InChI=1S/C10H13BO5/c1-2-15-10(12)7-16-9-5-3-4-8(6-9)11(13)14/h3-6,13-14H,2,7H2,1H3
InChIKey	KJVPNIFNXDECMJ-UHFFFAOYSA-N
Smiles	B(C1=CC(=CC=C1)OCC(=O)OCC)(O)O
Isomeric SMILES	B(C1=CC(=CC=C1)OCC(=O)OCC)(O)O
Molecular Weight	224
Reaxy-Rn	23122556
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23122556&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	224.020 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	224.086 Da
Monoisotopic Mass	224.086 Da
Topological Polar Surface Area	76.000 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	221.000
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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