3-Ethoxy-5-formylphenylboronic acid

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Molecular Formula:

C9H11BO3

Molecular Weight:

177.99

CAS Number:

1072952-04-5

Catalog Number:

1072952-04-5

Product Information

Molecular Formula:

C9H11BO3

Molecular Weight:

177.99

Description

3-Ethoxy-5-formylphenylboronic acid (CAS# 1072952-04-5) is a useful research chemical.

Synonyms

(3-ethoxy-5-formylphenyl)boronic acid

IUPAC Name

(3-ethoxy-5-formylphenyl)boronic acid

Canonical SMILES

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

InChI

InChI=1S/C9H11BO4/c1-2-14-9-4-7(6-11)3-8(5-9)10(12)13/h3-6,12-13H,2H2,1H3

InChI Key

UGWAEFBQEMQRJD-UHFFFAOYSA-N

Melting Point

204-210 °C

Purity

95 %

Storage

2-8 °C

LogP

-0.42240

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

194.0750390 g/mol

Monoisotopic Mass

194.0750390 g/mol

Topological Polar Surface Area

66.8Å²

Heavy Atom Count

Formal Charge

Complexity

186

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-Ethoxy-5-formylphenylboronic acid

Product Information

Computed Properties

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