Potassium 3-Indoleacetate - ≥98% , CAS No.2338-19-4

CAS: 2338-19-4 Cat. No.: P160341 Fórmula: C₁₀H₈KNO₂ Peso molecular: 213.28 Número EC: 219-049-6 PubChem CID: 23667427

GRADE & PURITY ≥98%

Synonyms

potassium 1H-indol-3-ylacetate | potassium 2-(1H-indol-3-yl)acetate | 3-Indoleacetic Acid Potassium Salt | Potassium 1H-indole-3-acetate | Potassium3-Indoleacetate | Heteroauxine | potassium;2-(1H-indol-3-yl)acetate | MFCD00066213

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

potassium 1H-indol-3-ylacetate | potassium 2-(1H-indol-3-yl)acetate | 3-Indoleacetic Acid Potassium Salt | Potassium 1H-indole-3-acetate | Potassium3-Indoleacetate | Heteroauxine | potassium;2-(1H-indol-3-yl)acetate | MFCD00066213

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

Sonrisas canónicas

C1=CC=C2C(=C1)C(=CN2)CC(=O)[O-].[K+]

IUPAC Name

potassium;2-(1H-indol-3-yl)acetate

InChIKey

MLWMEUAQPRACHM-UHFFFAOYSA-M

INCHI

1S/C10H9NO2.K/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9;/h1-4,6,11H,5H2,(H,12,13);/q;+1/p-1

Isómeros SMILES

C1=CC=C2C(=C1)C(=CN2)CC(=O)[O-].[K+]

PubChem CID

23667427

Peso molecular

213.28

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Indoles and derivatives
      • Subclass Indolyl carboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Indoles and derivatives
• Subclass: Indolyl carboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Indole-3-acetic acid derivatives
• Alternative Parents: 3-alkylindoles Substituted pyrroles Benzenoids Heteroaromatic compounds Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic potassium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indole-3-acetic acid derivative - 3-alkylindole - Indole - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Carboxylic acid salt - Carboxylic acid derivative - Azacycle - Organic alkali metal salt - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxide - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic salt - Organic potassium salt - Hydrocarbon derivative - Organic cation - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as indole-3-acetic acid derivatives. These are compounds containing an acetic acid (or a derivative) linked to the C3 carbon atom of an indole.
• 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: 213.270 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 213.019 Da
• Monoisotopic Mass: 213.019 Da
• Topological Polar Surface Area: 55.900 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 210.000
• 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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