3-Formyl-5-methylphenylboronic acid

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Molecular Formula:

C8H9BO3

Molecular Weight:

163.97

CAS Number:

870777-33-6

Catalog Number:

870777-33-6

Product Information

Molecular Formula:

C8H9BO3

Molecular Weight:

163.97

Description

3-Formyl-5-methylphenylboronic acid (CAS# 870777-33-6) is a useful research chemical.

Synonyms

(3-formyl-5-methylphenyl)boronic acid

IUPAC Name

(3-formyl-5-methylphenyl)boronic acid

Canonical SMILES

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

InChI

InChI=1S/C8H9BO3/c1-6-2-7(5-10)4-8(3-6)9(11)12/h2-5,11-12H,1H3

InChI Key

IDXLUNCVVBZUEN-UHFFFAOYSA-N

Boiling Point

370.9 °C at 760 mmHg

Density

1.2 g/cm³

LogP

-0.51270

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

164.0644743 g/mol

Monoisotopic Mass

164.0644743 g/mol

Topological Polar Surface Area

57.5Å²

Heavy Atom Count

Formal Charge

Complexity

160

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-Formyl-5-methylphenylboronic acid

Product Information

Computed Properties

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