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4-(2-Ethoxyethoxy)benzoic acid - ≥95%, high purity , CAS No.40782-64-7

COA

Grade & Purity:

≥95%

Cas Number: 40782-64-7
Molecular Weight: 210.23
MDL number: MFCD08134357
PubChem CID: 13134736

In stock

Item Number

E300222

Grouped product items
SKU	Size	Availability	Price	Qty
E300222-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$447.90

Basic Description

Synonyms	4-(2-ethoxyethoxy)benzoic acid \| 40782-64-7 \| 4-(2-ethoxyethoxy)benzoicacid \| p-ethoxyethoxy benzoic acid \| SCHEMBL61981 \| AMY4765 \| DTXSID20520992 \| p-(beta-ethoxy)ethoxybenzoic acid \| APCMOTIDHJISLL-UHFFFAOYSA-N \| MFCD08134357 \| STL066879 \| AKOS000264410 \| BS-28191 \| CS-0212885 \|
Specifications & Purity	≥95%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Benzoic acids
Alternative Parents	Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Dialkyl ethers Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzoic acid - Phenoxy compound - Phenol ether - Benzoyl - Alkyl aryl ether - Ether - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.
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	4-(2-ethoxyethoxy)benzoic acid
INCHI	InChI=1S/C11H14O4/c1-2-14-7-8-15-10-5-3-9(4-6-10)11(12)13/h3-6H,2,7-8H2,1H3,(H,12,13)
InChIKey	APCMOTIDHJISLL-UHFFFAOYSA-N
Smiles	CCOCCOC1=CC=C(C=C1)C(=O)O
Isomeric SMILES	CCOCCOC1=CC=C(C=C1)C(=O)O
Molecular Weight	210.23
Reaxy-Rn	2722400
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2722400&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	210.230 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	210.089 Da
Monoisotopic Mass	210.089 Da
Topological Polar Surface Area	55.800 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	185.000
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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