2-(4-(Methoxycarbonyl)phenyl)acetic acid - ≥97% , CAS No.22744-12-3

CAS: 22744-12-3 Cat. No.: M588258 Peso molecular: 194.18 Número EC: 816-945-4

GRADE & PURITY ≥97%

Synonyms

4-carboxymethyl benzoic acid methyl ester | DTXSID90445002 | SCHEMBL211335 | 4-methoxycarbonylphenylacetic acid | 2-(4-(METHOXYCARBONYL)PHENYL)ACETIC ACID | 2-(4-(Methoxycarbonyl)phenyl)aceticacid | GS-3773 | STL556143 | [4-(methoxycarbonyl)phenyl]acetic

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Sinónimos

4-carboxymethyl benzoic acid methyl ester | DTXSID90445002 | SCHEMBL211335 | 4-methoxycarbonylphenylacetic acid | 2-(4-(METHOXYCARBONYL)PHENYL)ACETIC ACID | 2-(4-(Methoxycarbonyl)phenyl)aceticacid | GS-3773 | STL556143 | [4-(methoxycarbonyl)phenyl]acetic

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Desiccated

Enviado en

Wet ice

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

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: COC(=O)C1=CC=C(C=C1)CC(=O)O
• IUPAC Name: 2-(4-methoxycarbonylphenyl)acetic acid
• InChIKey: TXZVCDJZNRCDKW-UHFFFAOYSA-N
• INCHI: 1S/C10H10O4/c1-14-10(13)8-4-2-7(3-5-8)6-9(11)12/h2-5H,6H2,1H3,(H,11,12)
• Isómeros SMILES: COC(=O)C1=CC=C(C=C1)CC(=O)O
• CAS alternativo: 22744-12-3
• Peso molecular: 194.18
• Reaxy-Rn: 1960400
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1960400&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acid esters
• Alternative Parents: Benzoyl derivatives Methyl esters Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoate ester - Benzoyl - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic 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: 1.800
• 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: 216.000
• 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