3-(Dihydroxyboranyl)propanoic acid - ≥98% , CAS No.220999-41-7

CAS: 220999-41-7 Cat. No.: D970305 Fórmula: C₃H₇BO₄ Peso molecular: 117.900 Número CE: 832-062-7

GRADE & PURITY ≥98%

Storage

Room temperature

Specifications

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Pureza

≥98%

Nomes e identificadores

• Sorrisos canónicos: B(CCC(=O)O)(O)O
• IUPAC Name: 3-boronopropanoic acid
• InChIKey: DDIBQZKBCUCPDW-UHFFFAOYSA-N
• INCHI: 1S/C3H7BO4/c5-3(6)1-2-4(7)8/h7-8H,1-2H2,(H,5,6)
• Peso molecular: 117.900

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Boronic acid derivatives
      • Subclass Boronic acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Boronic acid derivatives
• Subclass: Boronic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Boronic acids
• Alternative Parents: Organic metalloid salts Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Monoalkylboranes Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Boronic acid - Organic metalloid salt - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Monoalkylborane - Alkylborane - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organic metalloid moeity - Carbonyl group - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as boronic acids. These are compounds comprising the boronic acid functional group RB(O)O (R,R'=alkyl, aryl).
• 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

Propriedades químicas e físicas

• Peso molecular: 117.900 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 118.044 Da
• Monoisotopic Mass: 118.044 Da
• Topological Polar Surface Area: 77.800 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 81.400
• 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

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