(3-Propoxycarbonyl)phenylboronic acid - ≥97% , CAS No.850568-78-4

CAS: 850568-78-4 Cat. No.: P187058 Peso molecular: 208 PubChem CID: 23005363

GRADE & PURITY ≥97%

Synonyms

AB26472 | [3-(Propoxycarbonyl)phenyl]boronic acid | 3-(Propoxycarbonyl)phenylboronic acid | Propyl 3-boronobenzoate | AKOS004113801 | MFCD06659851 | 3-propoxycarbonylphenylboronic acid | 3-Propoxycarbonylphenylboronicacid | A841137 | 3-(Propoxycarbonyl)be

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AB26472 | [3-(Propoxycarbonyl)phenyl]boronic acid | 3-(Propoxycarbonyl)phenylboronic acid | Propyl 3-boronobenzoate | AKOS004113801 | MFCD06659851 | 3-propoxycarbonylphenylboronic acid | 3-Propoxycarbonylphenylboronicacid | A841137 | 3-(Propoxycarbonyl)be

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488200262
• Sonrisas canónicas: B(C1=CC(=CC=C1)C(=O)OCCC)(O)O
• IUPAC Name: (3-propoxycarbonylphenyl)boronic acid
• InChIKey: BSCFVVVAJINDLA-UHFFFAOYSA-N
• INCHI: 1S/C10H13BO4/c1-2-6-15-10(12)8-4-3-5-9(7-8)11(13)14/h3-5,7,13-14H,2,6H2,1H3
• Isómeros SMILES: B(C1=CC(=CC=C1)C(=O)OCCC)(O)O
• PubChem CID: 23005363
• Peso molecular: 208

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acid esters
• Alternative Parents: Benzoyl derivatives Carboxylic acid esters Boronic acids Organic metalloid salts Organooxygen compounds Organometalloid compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoate ester - Benzoyl - Carboxylic acid ester - Boronic acid - Boronic acid derivative - Organic metalloid salt - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organic metalloid moeity - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
• 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: 208.020 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 208.091 Da
• Monoisotopic Mass: 208.091 Da
• Topological Polar Surface Area: 66.800 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 208.000
• 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

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