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2-(4-Formyl-2-methoxyphenoxy)propanoic acid - ≥95%, high purity , CAS No.51264-79-0

COA

Grade & Purity:

≥95%

Cas Number: 51264-79-0
Molecular Weight: 224.2
PubChem CID: 2910982

In stock

Item Number

P701421

Grouped product items
SKU	Size	Availability	Price
P701421-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$101.90
P701421-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$272.90
P701421-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,270.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass 2-phenoxypropionic acids

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	2-phenoxypropionic acids
Intermediate Tree Nodes	Not available
Direct Parent	2-phenoxypropionic acids
Alternative Parents	Phenoxyacetic acid derivatives Phenoxy compounds Methoxybenzenes Benzoyl derivatives Benzaldehydes Anisoles Alkyl aryl ethers Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	2-phenoxypropionic acid - Phenoxyacetate - Anisole - Benzaldehyde - Benzoyl - Phenol ether - Phenoxy compound - Methoxybenzene - Alkyl aryl ether - Aryl-aldehyde - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Carbonyl group - Aldehyde - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as 2-phenoxypropionic acids. These are aromatic compounds hat contain a phenol ether attached to the C2-atom of a phenylpropionic 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	2-(4-formyl-2-methoxyphenoxy)propanoic acid
INCHI	InChI=1S/C11H12O5/c1-7(11(13)14)16-9-4-3-8(6-12)5-10(9)15-2/h3-7H,1-2H3,(H,13,14)
InChIKey	MLHKYEYVHIVNMU-UHFFFAOYSA-N
Smiles	CC(C(=O)O)OC1=C(C=C(C=C1)C=O)OC
Isomeric SMILES	CC(C(=O)O)OC1=C(C=C(C=C1)C=O)OC
PubChem CID	2910982
Molecular Weight	224.2

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	224.210 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	224.068 Da
Monoisotopic Mass	224.068 Da
Topological Polar Surface Area	72.800 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	253.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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