Potassium 2-cyclopropyl-2-oxoacetate - ≥95% , CAS No.56512-18-6

CAS: 56512-18-6 Cat. No.: P1003809 Peso molecular: 152.190 Número EC: 893-693-1

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1CC1C(=O)C(=O)[O-].[K+]
• IUPAC Name: potassium;2-cyclopropyl-2-oxoacetate
• InChIKey: BIHOEOFKAILDIR-UHFFFAOYSA-M
• INCHI: 1S/C5H6O3.K/c6-4(5(7)8)3-1-2-3;/h3H,1-2H2,(H,7,8);/q;+1/p-1
• Peso molecular: 152.190

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Keto acids and derivatives
      • Subclass Alpha-keto acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Keto acids and derivatives
• Subclass: Alpha-keto acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Alpha-keto acids and derivatives
• Alternative Parents: Ketones Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Organic potassium salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Alpha-keto acid - Carboxylic acid salt - Ketone - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic alkali metal salt - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organic salt - Organic potassium salt - Organic cation - Aliphatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alpha-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the adjacent carbon.
• 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

Propiedades químicas y físicas

• Peso molecular: 152.190 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 151.988 Da
• Monoisotopic Mass: 151.988 Da
• Topological Polar Surface Area: 57.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 139.000
• 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: 2

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