Oxalic acid - anhydrous, ≥99% , CAS No.144-62-7

CAS: 144-62-7 Cat. No.: O107179 Formula: C₂H₂O₄ Molecular Weight: 90.04 EC Number: 205-634-3

GRADE & PURITY Anhydrous Grade, ≥99%

Synonyms

Oxalic acid anhydrous | Aquisal | Aktisal | Ethanedionic acid

Storage

Room temperature

Shipped In

Normal

Overview

Oxalic acid is present as potential impurity in some active pharmaceutical ingredients.
Oxalic acid was used: · in the synthesis of hemicellulose hydrolysates of yellow poplars; · in the synthesis of three-dimensionally ordered macroporous metal oxides or carbonates via templating with polystyrene spheres; · as supporting electrolyte in the electrochemical synthesis of polyaniline-polypyrrole composite coatings.

Specifications

Synonyms

Oxalic acid anhydrous | Aquisal | Aktisal | Ethanedionic acid

Specifications & Purity

anhydrous, ≥99%

Storage

Room temperature

Shipped In

Normal

Grade

Anhydrous Grade

Purity

≥99%

Names and Identifiers

Pubchem Sid

508813653

Canonical Smiles

C(=O)(C(=O)O)O

IUPAC Name

oxalic acid

InChIKey

MUBZPKHOEPUJKR-UHFFFAOYSA-N

INCHI

1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)

Isomeric SMILES

C(=O)(C(=O)O)O

UN Number

3261

Packing Group

I

Molecular Weight

90.04

Reaxy-Rn

385686

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=385686&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 acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dicarboxylic acid or derivatives - 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: alpha,omega-dicarboxylic acid

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

Associated Targets(Human)

SRC Tclin Tyrosine-protein kinase SRC (10310 Activities)

Discover Target: SRC

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SLCO2B1 Tchem Solute carrier organic anion transporter family member 2B1 (580 Activities)

Discover Target: SLCO2B1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Flash Point(°F): 200.1℉
• Flash Point(°C): 93.4℃
• Melt Point(°C): 189-191°C
• Molecular Weight: 90.030 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 89.9953 Da
• Monoisotopic Mass: 89.9953 Da
• Topological Polar Surface Area: 74.600 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 71.500
• 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