2-Carboxyphenylboronic acid dihydrate

Inquiry

Molecular Formula:

C7H7BO4 · 2H2O

Molecular Weight:

201.97

CAS Number:

1257650-88-6

Catalog Number:

1257650-88-6

Product Information

Molecular Formula:

C7H7BO4 · 2H2O

Molecular Weight:

201.97

Description

2-Carboxyphenylboronic acid dihydrate is a multifaceted biomedicine compound that assumes a pivotal role in combating a myriad of ailments. As a borate ester compound, it can effectively inhibit the enzymatic actions that lead to diseases such as malignant tumors, blood sugar discomfort, and inflammatory disorders.

Synonyms

2-(Dihydroxyboryl)benzoic acid,2-Boronobenzoic acid

IUPAC Name

2-boronobenzoic aciddihydrate

Canonical SMILES

B(C1=CC=CC=C1C(=O)O)(O)O.O.O

InChI

InChI=1S/C7H7BO4.2H2O/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4,11-12H,(H,9,10)2*1H2

InChI Key

XHFHPLIGSGHNOD-UHFFFAOYSA-N

Flash Point

Not applicable

Storage

2-8°C

Safety Information

Hazards

H315 - H319 - H335

Precautionary Statement

P302 + P352 - P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

202.0648682 g/mol

Monoisotopic Mass

202.0648682 g/mol

Topological Polar Surface Area

79.8Å²

Heavy Atom Count

Formal Charge

Complexity

171

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

Patents

Publication Number	Title	Priority Date
US-2013178617-A1	Catalytic conversion of cellulose to fuels and chemicals using boronic acids	2011-09-28
US-9162999-B2	Catalytic conversion of cellulose to fuels and chemicals using boronic acids	2011-09-28
WO-2013049424-A1	Catalytic conversion of cellulose to fuels and chemicals using boronic acids	2011-09-28

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Mass

Concentration

Volume

Molecular Weight *

Calculate

The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)