Methyl 2-(4-formylphenoxy)acetate - ≥95% , CAS No.73620-18-5

CAS: 73620-18-5 Cat. No.: M194812 Peso molecular: 194.18 Número EC: 853-900-8

GRADE & PURITY ≥95%

Synonyms

GS-4239 | AKOS000111548 | SCHEMBL1950164 | methyl 2-(4-formylphenoxy)acetate | STK397320 | (4-Formylphenoxy)acetic Acid Methyl Ester | A866059 | methyl (4-formylphenoxy)acetate | Methyl2-(4-formylphenoxy)acetate | Z25126560 | EN300-129884 | DTXSID90353911

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

GS-4239 | AKOS000111548 | SCHEMBL1950164 | methyl 2-(4-formylphenoxy)acetate | STK397320 | (4-Formylphenoxy)acetic Acid Methyl Ester | A866059 | methyl (4-formylphenoxy)acetate | Methyl2-(4-formylphenoxy)acetate | Z25126560 | EN300-129884 | DTXSID90353911

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: COC(=O)COC1=CC=C(C=C1)C=O
• IUPAC Name: methyl 2-(4-formylphenoxy)acetate
• InChIKey: TVJPCDPSAWVMHA-UHFFFAOYSA-N
• INCHI: 1S/C10H10O4/c1-13-10(12)7-14-9-4-2-8(6-11)3-5-9/h2-6H,7H2,1H3
• Isómeros SMILES: COC(=O)COC1=CC=C(C=C1)C=O
• Peso molecular: 194.18
• Reaxy-Rn: 7175057
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7175057&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Phenoxyacetic acid derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenoxyacetic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenoxyacetic acid derivatives
• Alternative Parents: Phenoxy compounds Phenol ethers Benzoyl derivatives Benzaldehydes Alkyl aryl ethers Methyl esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxyacetate - Phenoxy compound - Benzaldehyde - Benzoyl - Phenol ether - Alkyl aryl ether - Aryl-aldehyde - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Aldehyde - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.
• 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: 0.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 194.058 Da
• Monoisotopic Mass: 194.058 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 194.000
• 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