2-Butoxy-3-formyl-5-methylphenylboronic acid

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Molecular Formula:

C12H17BO4

Molecular Weight:

236.07

CAS Number:

480424-51-9

Catalog Number:

480424-51-9

Product Information

Molecular Formula:

C12H17BO4

Molecular Weight:

236.07

Description

2-Butoxy-3-formyl-5-methylphenylboronic acid (CAS# 480424-51-9) is a useful research chemical.

Synonyms

(2-butoxy-3-formyl-5-methylphenyl)boronic acid

IUPAC Name

(2-butoxy-3-formyl-5-methylphenyl)boronic acid

Canonical SMILES

B(C1=CC(=CC(=C1OCCCC)C=O)C)(O)O

InChI

InChI=1S/C12H17BO4/c1-3-4-5-17-12-10(8-14)6-9(2)7-11(12)13(15)16/h6-8,15-16H,3-5H2,1-2H3

InChI Key

FADIVFIMGQEBIO-UHFFFAOYSA-N

Boiling Point

444.3 °C at 760 mmHg

Melting Point

77-82 °C

Purity

98 %

Density

1.13 g/cm³

LogP

0.66620

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

236.1219892 g/mol

Monoisotopic Mass

236.1219892 g/mol

Topological Polar Surface Area

66.8Å²

Heavy Atom Count

Formal Charge

Complexity

235

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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2-Butoxy-3-formyl-5-methylphenylboronic acid

Product Information

Computed Properties

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