(4-Methoxybenzyloxy)acetic acid - ≥97% , CAS No.88920-24-5

CAS: 88920-24-5 Cat. No.: M195616 Peso molecular: 196.20 Número EC: 962-776-5

GRADE & PURITY ≥97%

Synonyms

XNXTXCKLOBWPQA-UHFFFAOYSA-N | A861379 | AKOS000246689 | F21242 | DTXSID00446045 | 2-((4-Methoxybenzyl)oxy)acetic acid ;95% | 2-((4-Methoxybenzyl)oxy)aceticacid | 2-(4-methoxybenzyloxy)acetic acid | AS-20094 | 2-[(4-methoxyphenyl)methoxy]acetic Acid | 2-((

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

XNXTXCKLOBWPQA-UHFFFAOYSA-N | A861379 | AKOS000246689 | F21242 | DTXSID00446045 | 2-((4-Methoxybenzyl)oxy)acetic acid ;95% | 2-((4-Methoxybenzyl)oxy)aceticacid | 2-(4-methoxybenzyloxy)acetic acid | AS-20094 | 2-[(4-methoxyphenyl)methoxy]acetic Acid | 2-((

Especificaciones y pureza

≥97%

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

≥97%

Nombres e identificadores

• Sonrisas canónicas: COC1=CC=C(C=C1)COCC(=O)O
• IUPAC Name: 2-[(4-methoxyphenyl)methoxy]acetic acid
• InChIKey: XNXTXCKLOBWPQA-UHFFFAOYSA-N
• INCHI: 1S/C10H12O4/c1-13-9-4-2-8(3-5-9)6-14-7-10(11)12/h2-5H,6-7H2,1H3,(H,11,12)
• Isómeros SMILES: COC1=CC=C(C=C1)COCC(=O)O
• Peso molecular: 196.20
• Reaxy-Rn: 3286250
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3286250&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzylethers
• Alternative Parents: Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzylether - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene).
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 196.200 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 196.074 Da
• Monoisotopic Mass: 196.074 Da
• Topological Polar Surface Area: 55.800 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 173.000
• 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