4-(3-hydroxypropyl)benzeneboronic acid

Inquiry

Molecular Formula:

C9H13BO3

Molecular Weight:

180.01

Product Information

Molecular Formula:

C9H13BO3

Molecular Weight:

180.01

Description

4-(3-hydroxypropyl)benzeneboronic acid is a key compound widely used in the synthesis of drugs and inhibitors, including the production of drugs for diabetes, cancer and inflammatory diseases.

Synonyms

[4-(3-hydroxypropyl)phenyl]boronic Acid; 4-(3-Hydroxypropyl)benzeneboronic acid; Boronic acid, [4-(3-hydroxypropyl)phenyl]-; (4-(3-Hydroxypropyl)phenyl)boronic acid; [4-(3-hydroxypropyl)phenyl]boronicAcid; 4-(3-hydroxypropyl)benzeneboronic acid

IUPAC Name

[4-(3-hydroxypropyl)phenyl]boronic acid

Canonical SMILES

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

InChI

InChI=1S/C9H13BO3/c11-7-1-2-8-3-5-9(6-4-8)10(12)13/h3-6,11-13H,1-2,7H2

InChI Key

KCRVWMBFIDPDIF-UHFFFAOYSA-N

Flash Point

Not applicable

Safety Information

Hazards

H319

Precautionary Statement

P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

180.0957744 g/mol

Monoisotopic Mass

180.0957744 g/mol

Topological Polar Surface Area

60.7Å²

Heavy Atom Count

Formal Charge

Complexity

133

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)

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4-(3-hydroxypropyl)benzeneboronic acid

Product Information

Safety Information

Computed Properties

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