(9-Carboxynonyl)triphenylphosphonium , CAS No.779282-36-9

CAS: 779282-36-9 Cat. No.: C1299190 Peso molecular: 433.5

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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Nombres e identificadores

• Sonrisas canónicas: C1=CC=C(C=C1)[P+](CCCCCCCCCC(=O)O)(C2=CC=CC=C2)C3=CC=CC=C3
• IUPAC Name: 9-carboxynonyl(triphenyl)phosphanium
• InChIKey: VOOZXZVXPXRBBF-UHFFFAOYSA-O
• INCHI: 1S/C28H33O2P/c29-28(30)23-15-4-2-1-3-5-16-24-31(25-17-9-6-10-18-25,26-19-11-7-12-20-26)27-21-13-8-14-22-27/h6-14,17-22H,1-5,15-16,23-24H2/p+1
• Peso molecular: 433.5

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Phenylphosphines and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenylphosphines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylphosphines and derivatives
• Alternative Parents: Medium-chain fatty acids Monocarboxylic acids and derivatives Carboxylic acids Organophosphorus compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Triphenylphosphine - Medium-chain fatty acid - Phenylphosphine - Fatty acid - Fatty acyl - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organophosphorus compound - Organooxygen compound - Carbonyl group - Organic cation - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylphosphines and derivatives. These are compounds containing a phenylphosphine, which consists of phosphine substituent bound to a phenyl group.
• 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: 433.500 g/mol
• XLogP3: 7.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 13
• Exact Mass: 433.23 Da
• Monoisotopic Mass: 433.23 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 31
• Formal Charge: 1
• Complexity: 442.000
• 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: 1