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Boronic acid, B-[5-methyl-2-(1-methylethoxy)phenyl]-

Boronic acid, B-[5-methyl-2-(1-methylethoxy)phenyl]-

Name: Boronic acid, B-[5-methyl-2-(1-methylethoxy)phenyl]-
Brand: BOC Sciences
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Molecular Formula:

C10H15 B O3

Molecular Weight:

194.0353

CAS Number:

480438-71-9

Catalog Number:

480438-71-9

Product Information

Molecular Formula:

C10H15 B O3

Molecular Weight:

194.0353

Description

B-[5-methyl-2-(1-methylethoxy)phenyl]- is the intriguing compound commonly known as boronic acid. It harbors immense potential in combating a diverse array of afflictions, including cancer, diabetes, and inflammation. Distinguished by its unparalleled attributes, this entity seamlessly fosters the advancement of targeted therapies and diagnostic agents in the prestigious sphere of drug discovery. Above and beyond, its significance resonates as an imperative precursor, affording a versatile foundation for the ramifications of pharmaceutical synthesis while facilitating the comprehensive exploration of medicinal chemistry research.

Synonyms

Boronic acid, [5-methyl-2-(1-methylethoxy)phenyl]- (9CI)

IUPAC Name

(5-methyl-2-propan-2-yloxyphenyl)boronic acid

Canonical SMILES

B(C1=C(C=CC(=C1)C)OC(C)C)(O)O

InChI

InChI=1S/C10H15BO3/c1-7(2)14-10-5-4-8(3)6-9(10)11(12)13/h4-7,12-13H,1-3H3

InChI Key

PESPTYNENYUZTH-UHFFFAOYSA-N

Melting Point

65-69 °C (lit.)

Purity

95%

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

194.1114245 g/mol

Monoisotopic Mass

194.1114245 g/mol

Topological Polar Surface Area

49.7Å²

Heavy Atom Count

Formal Charge

Complexity

173

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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Boronic acid, B-[5-methyl-2-(1-methylethoxy)phenyl]-

Product Information

Computed Properties

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