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3-(2-Methoxyethoxy)benzoic acid - ≥95%, high purity , CAS No.152808-60-1

COA

Grade & Purity:

≥95%

Cas Number: 152808-60-1
Molecular Weight: 196.2
PubChem CID: 22397422

In stock

Item Number

B730702

Grouped product items
SKU	Size	Availability	Price	Qty
B730702-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$187.90

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	3-(2-methoxyethoxy)benzoic acid
INCHI	InChI=1S/C10H12O4/c1-13-5-6-14-9-4-2-3-8(7-9)10(11)12/h2-4,7H,5-6H2,1H3,(H,11,12)
InChIKey	ZDBKQHIFUZABMJ-UHFFFAOYSA-N
Smiles	COCCOC1=CC=CC(=C1)C(=O)O
Isomeric SMILES	COCCOC1=CC=CC(=C1)C(=O)O
PubChem CID	22397422
Molecular Weight	196.2

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	196.200 g/mol
XLogP3	1.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	196.074 Da
Monoisotopic Mass	196.074 Da
Topological Polar Surface Area	55.800 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	181.000
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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