Sodium 2-(2-hydroxyethoxy)acetate - ≥97% , CAS No.142047-97-0

CAS: 142047-97-0 Cat. No.: A693838 Fórmula: C₄H₇NaO₄ Peso molecular: 142.09 Número EC: 826-605-7

GRADE & PURITY ≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

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

• Pubchem Sid: 528755819
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/528755819
• Sonrisas canónicas: C(COCC(=O)[O-])O.[Na+]
• IUPAC Name: sodium;2-(2-hydroxyethoxy)acetate
• InChIKey: CEAQLKGSEMCNNR-UHFFFAOYSA-M
• INCHI: 1S/C4H8O4.Na/c5-1-2-8-3-4(6)7;/h5H,1-3H2,(H,6,7);/q;+1/p-1
• Isómeros SMILES: C(COCC(=O)[O-])O.[Na+]
• CAS alternativo: 13382-47-3
• Peso molecular: 142.09

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acid salts
• Alternative Parents: Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Primary alcohols Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carboxylic acid salt - Carboxylic acid - Dialkyl ether - Organic alkali metal salt - Ether - Monocarboxylic acid or derivatives - Alcohol - Organic zwitterion - Primary alcohol - Organooxygen compound - Organic salt - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as carboxylic acid salts. These are ionic derivatives of carboxylic 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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 120.100 g/mol
• XLogP3: -1.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 120.042 Da
• Monoisotopic Mass: 120.042 Da
• Topological Polar Surface Area: 66.800 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 70.400
• 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