3-Formyl-5-methyl-2-propoxyphenylboronic acid

Inquiry

Molecular Formula:

C11H15BO4

Molecular Weight:

222.05

CAS Number:

480424-53-1

Catalog Number:

480424-53-1

Product Information

Molecular Formula:

C11H15BO4

Molecular Weight:

222.05

Description

3-Formyl-5-methyl-2-propoxyphenylboronic acid (CAS# 480424-53-1) is a useful research chemical.

Synonyms

(3-formyl-5-methyl-2-propoxyphenyl)boronic acid

IUPAC Name

(3-formyl-5-methyl-2-propoxyphenyl)boronic acid

Canonical SMILES

B(C1=CC(=CC(=C1OCCC)C=O)C)(O)O

InChI

InChI=1S/C11H15BO4/c1-3-4-16-11-9(7-13)5-8(2)6-10(11)12(14)15/h5-7,14-15H,3-4H2,1-2H3

InChI Key

VLCOLNKROICTJC-UHFFFAOYSA-N

Boiling Point

436.1 °C at 760 mmHg

Melting Point

110-114 °C

Purity

97 %

Density

1.15 g/cm³

Appearance

White to tan powder, crystals or crystalline powder and/or chunks

LogP

0.27610

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

222.1063391 g/mol

Monoisotopic Mass

222.1063391 g/mol

Topological Polar Surface Area

66.8Å²

Heavy Atom Count

Formal Charge

Complexity

222

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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Concentration _(final)

Volume _(final)

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3-Formyl-5-methyl-2-propoxyphenylboronic acid

Product Information

Computed Properties

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