3-Formyl-5-isopropoxyphenylboronic acid

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Molecular Formula:

C10H13BO4

Molecular Weight:

208.02

CAS Number:

871125-79-0

Catalog Number:

871125-79-0

Product Information

Molecular Formula:

C10H13BO4

Molecular Weight:

208.02

Description

3-Formyl-5-isopropoxyphenylboronic acid (CAS# 871125-79-0) is a useful research chemical.

Synonyms

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

IUPAC Name

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

Canonical SMILES

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

InChI

InChI=1S/C10H13BO4/c1-7(2)15-10-4-8(6-12)3-9(5-10)11(13)14/h3-7,13-14H,1-2H3

InChI Key

TYKYVLDAFDKFHV-UHFFFAOYSA-N

Boiling Point

408.6 °C at 760 mmHg

Melting Point

113-118 °C

Flash Point

Not applicable

Purity

95 %

Density

1.18 g/cm³

Appearance

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

LogP

-0.03390

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

208.0906891 g/mol

Monoisotopic Mass

208.0906891 g/mol

Topological Polar Surface Area

66.8Å²

Heavy Atom Count

Formal Charge

Complexity

208

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-isopropoxyphenylboronic acid

Product Information

Computed Properties

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