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

CAS: 51264-78-9 Cat. No.: F479129 Peso molecular: 194.18 Número EC: 806-203-8

GRADE & PURITY Reagent Grade

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

Storage

Room temperature

Specifications

Sinónimos

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

Especificaciones y pureza

Reagent grade

Información jurídica

Product of ChemBridge Corp.

Condiciones de almacenamiento de almacenamiento

Room temperature

Grado

Reagent Grade

Nombres e identificadores

• Sonrisas canónicas: CC(C(=O)O)OC1=CC=C(C=C1)C=O
• IUPAC Name: 2-(4-formylphenoxy)propanoic acid
• InChIKey: OIQBPASRUVCUAN-UHFFFAOYSA-N
• INCHI: 1S/C10H10O4/c1-7(10(12)13)14-9-4-2-8(6-11)3-5-9/h2-7H,1H3,(H,12,13)
• Isómeros SMILES: CC(C(=O)O)OC1=CC=C(C=C1)C=O
• WGK Alemania: 3
• Peso molecular: 194.18
• Reaxy-Rn: 2107509
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2107509&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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

Data sources

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

Propiedades químicas y físicas

• Peso molecular: 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 Ų
• 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