3-Methoxy-4-methylphenylboronic acid

Inquiry

Molecular Formula:

C8H11BO3

Molecular Weight:

165.98

Product Information

Molecular Formula:

C8H11BO3

Molecular Weight:

165.98

Description

3-Methoxy-4-methylphenylboronic acid has the ability to inhibit specific enzymes and is used in drug discovery for cancer and inflammatory diseases.

Synonyms

(3-methoxy-4-methylphenyl)boronic acid; 3-Methoxy-4-methylbenzeneboronic acid; 3-Methoxy-4-methylphenylboronic acid; (3-methoxy-4-methyl-phenyl)boronic acid; 3-Methoxy-4-methylphenylboronicacid; 3-methoxy-4-methylbenzeneboronic acid, 97%

IUPAC Name

(3-methoxy-4-methylphenyl)boronic acid

Canonical SMILES

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

InChI

InChI=1S/C8H11BO3/c1-6-3-4-7(9(10)11)5-8(6)12-2/h3-5,10-11H,1-2H3

InChI Key

UMGAGEBOUIODFE-UHFFFAOYSA-N

Flash Point

Not applicable

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

166.0801244 g/mol

Monoisotopic Mass

166.0801244 g/mol

Topological Polar Surface Area

49.7Å²

Heavy Atom Count

Formal Charge

Complexity

140

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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3-Methoxy-4-methylphenylboronic acid

Product Information

Computed Properties

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