Potassium binoxalate - ≥99.5% metals basis , CAS No.127-95-7

CAS: 127-95-7 Cat. No.: P1508360 Molecular Weight: 128.12 EC Number: 204-873-0

GRADE & PURITY ≥99.5% metals basis

Storage

Room temperature

Shipped In

Normal

Specifications

Specifications & Purity

≥99.5% metals basis

Storage

Room temperature

Shipped In

Normal

Purity

≥99.5% metals basis

Names and Identifiers

• Canonical Smiles: C(=O)(C(=O)[O-])O.[K+]
• IUPAC Name: potassium;2-hydroxy-2-oxoacetate
• InChIKey: JMTCDHVHZSGGJA-UHFFFAOYSA-M
• INCHI: 1S/C2H2O4.K/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+1/p-1
• Isomeric SMILES: C(=O)(C(=O)[O-])O.[K+]
• Molecular Weight: 128.12
• Reaxy-Rn: 3704428
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3704428&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 salts Carboxylic acids Organic potassium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dicarboxylic acid or derivatives - Carboxylic acid salt - Organic alkali metal salt - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic potassium salt - Organic salt - 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

• Solubility: Solubility DMSO
• Sensitivity: Moisture sensitive.
• Molecular Weight: 128.130 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 127.951 Da
• Monoisotopic Mass: 127.951 Da
• Topological Polar Surface Area: 77.400 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 87.700
• 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: 2

XLogP3

References

1. Xiangbo Song, Yuhe Liao, Tingsen Liu, Dedu Yin, Haiyong Wang, Lungang Chen, Longlong Ma, Hongwei Yang, Leonid G. Voskressensky, Chenguang Wang.  (2022)  A highly effective approach to enhance the performance of biomass-derived acid for fructose conversion to 5-hydroxymethylfurfural.  FUEL PROCESSING TECHNOLOGY,      [PMID:] [10.1016/j.fuproc.2022.107318]

2. Zhipeng Qie, Minghui Hu, Wenqi He, Yao Zhang, Zhongbao Liu, Huaizhong Xiang, Zepeng Wang, Dafeng Yang, Shuyi Yao, Xinxin Pi, Hongxing Dai.  (2025)  Chelation-assisted ion exchange of MOR zeolite for enhancing CO2 capture under humid condition.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.169902]