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2-(4-Formylphenoxy)propanoic acid - Reagent Grade, high purity , CAS No.51264-78-9

COA

Grade & Purity:

Reagent Grade

Cas Number: 51264-78-9
Molecular Weight: 194.18
MDL number: MFCD03850823
PubChem CID: 351737

In stock

Item Number

F479129

Grouped product items
SKU	Size	Availability	Price	Qty
F479129-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$183.90

Basic Description

Synonyms	F79714 \| AKOS016049710 \| MFCD03850823 \| 2-(4-Formylphenoxy)propanoic acid, AldrichCPR \| Z400426336 \| BCA26478 \| FT-0753303 \| NSC522956 \| NSC-522956 \| STK033706 \| VS-00627 \| OIQBPASRUVCUAN-UHFFFAOYSA-N \| 2-(4-formylphenoxy)propanoic acid \| 2-(4-Formylpheno
Specifications & Purity	Reagent grade
Legal Information	Product of ChemBridge Corp.
Grade	Reagent Grade

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 Phenol ethers Benzoyl derivatives Benzaldehydes Alkyl aryl ethers Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	2-phenoxypropionic acid - Phenoxyacetate - Phenoxy compound - Benzaldehyde - Benzoyl - Phenol ether - Alkyl aryl ether - Aryl-aldehyde - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Aldehyde - 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-formylphenoxy)propanoic acid
INCHI	InChI=1S/C10H10O4/c1-7(10(12)13)14-9-4-2-8(6-11)3-5-9/h2-7H,1H3,(H,12,13)
InChIKey	OIQBPASRUVCUAN-UHFFFAOYSA-N
Smiles	CC(C(=O)O)OC1=CC=C(C=C1)C=O
Isomeric SMILES	CC(C(=O)O)OC1=CC=C(C=C1)C=O
WGK Germany	3
Molecular Weight	194.18
Reaxy-Rn	2107509
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2107509&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	194.180 g/mol
XLogP3	1.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	194.058 Da
Monoisotopic Mass	194.058 Da
Topological Polar Surface Area	63.600 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	206.000
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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