Potassium tetraoxalate dihydrate - CP, ≥98% , CAS No.6100-20-5

CAS: 6100-20-5 Cat. No.: P100095 Molecular Weight: 254.19 Beilstein Registry Number: 3854419 EC Number: 612-064-2 PubChem CID: 53249650

GRADE & PURITY CP, ≥98%

Synonyms

6100-20-5|Potassium tetraoxalate dihydrate|Ethanedioic acid, potassium salt (2:1), dihydrate|octapotassium;oxalate;dihydrate|DTXSID50693002|AKOS030228548|Potassium ethanedioate--water (4/2/1)

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

6100-20-5 | Potassium tetraoxalate dihydrate | Ethanedioic acid, potassium salt (2:1), dihydrate | octapotassium;oxalate;dihydrate | DTXSID50693002 | AKOS030228548 | Potassium ethanedioate--water (4/2/1)

Specifications & Purity

CP, ≥98%

Storage

Room temperature

Shipped In

Normal

Grade

CP

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].O.O.[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+]
• IUPAC Name: octapotassium;oxalate;dihydrate
• InChIKey: OEQQMUDWLKESHP-UHFFFAOYSA-F
• INCHI: 1S/4C2H2O4.8K.2H2O/c4*3-1(4)2(5)6;;;;;;;;;;/h4*(H,3,4)(H,5,6);;;;;;;;;2*1H2/q;;;;8*+1;;/p-8
• Isomeric SMILES: C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].O.O.[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+]
• WGK Germany: 1
• PubChem CID: 53249650
• Molecular Weight: 254.19
• Beilstein: 3854419

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 Organic cations
• Molecular Framework: Not available
• 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 - Organic cation - 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

• Sensitivity: Moisture sensitive.
• Molecular Weight: 700.890 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 0
• Exact Mass: 699.649 Da
• Monoisotopic Mass: 699.649 Da
• Topological Polar Surface Area: 323.000 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 60.500
• 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: 14

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