2-Ethoxy-2-oxoacetic acid - ≥95% , CAS No.617-37-8

CAS: 617-37-8 Cat. No.: E589669 Formula: C₄H₆O₄ Molecular Weight: 118.09 EC Number: 624-672-5

GRADE & PURITY ≥95%

Synonyms

2-ethoxy-2-oxoacetic acid | C75898 | Ethoxy(oxo)acetic acid # | Ethanedioic acid 1-ethyl ester | Oxalic acid monoethyl ester | oxalic acid monoethylester | SY257067 | oxalic acid 1-ethyl ester | Oxalic Acid Ethyl Ester | Oxalsaureathylester | 2-ethoxy-2-o

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

2-ethoxy-2-oxoacetic acid | C75898 | Ethoxy(oxo)acetic acid # | Ethanedioic acid 1-ethyl ester | Oxalic acid monoethyl ester | oxalic acid monoethylester | SY257067 | oxalic acid 1-ethyl ester | Oxalic Acid Ethyl Ester | Oxalsaureathylester | 2-ethoxy-2-o

Specifications & Purity

≥95%

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CCOC(=O)C(=O)O
• IUPAC Name: 2-ethoxy-2-oxoacetic acid
• InChIKey: JRMAQQQTXDJDNC-UHFFFAOYSA-N
• INCHI: 1S/C4H6O4/c1-2-8-4(7)3(5)6/h2H2,1H3,(H,5,6)
• Isomeric SMILES: CCOC(=O)C(=O)O
• Molecular Weight: 118.09
• Reaxy-Rn: 1748673
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1748673&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Dicarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Dicarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Dicarboxylic acids and derivatives
• Alternative Parents: Carboxylic acid esters Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dicarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
• 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

Chemical and Physical Properties

• Molecular Weight: 118.090 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 118.027 Da
• Monoisotopic Mass: 118.027 Da
• Topological Polar Surface Area: 63.600 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 107.000
• 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