3-Formyl-2-isopropoxy-5-methylphenylboronic acid

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Molecular Formula:

C11H15BO4

Molecular Weight:

222.05

CAS Number:

480424-52-0

Catalog Number:

480424-52-0

Product Information

Molecular Formula:

C11H15BO4

Molecular Weight:

222.05

Description

3-Formyl-2-isopropoxy-5-methylphenylboronic acid (CAS# 480424-52-0) is a useful research chemical.

Synonyms

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

IUPAC Name

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

Canonical SMILES

B(C1=CC(=CC(=C1OC(C)C)C=O)C)(O)O

InChI

InChI=1S/C11H15BO4/c1-7(2)16-11-9(6-13)4-8(3)5-10(11)12(14)15/h4-7,14-15H,1-3H3

InChI Key

GJCSGBGUVKZHMG-UHFFFAOYSA-N

Melting Point

113-117 °C

Storage

2-8 °C

LogP

0.27450

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

232

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-2-isopropoxy-5-methylphenylboronic acid

Product Information

Computed Properties

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