2-Carboxybenzeneboronic Acid

Product Information

Molecular Formula:
C7H7O4B
Molecular Weight:
165.94
Description
2-Carboxybenzeneboronic Acid (CAS# 149105-19-1) is used in the studies on a new class of carbohydrate-binding boronic acids called the boronophthalide; a sugar-binding boronic acids that is soluble and capable of complexing glycosides in neutral water.
Synonyms
2-boronobenzoic acid; 2-boronobenzoic acid
IUPAC Name
2-boronobenzoic acid
Canonical SMILES
B(C1=CC=CC=C1C(=O)O)(O)O
InChI
InChI=1S/C7H7BO4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4,11-12H,(H,9,10)
InChI Key
KWNPRVWFJOSGMZ-UHFFFAOYSA-N
Boiling Point
412.3 °C at 760 mmHg
Flash Point
Not applicable
Density
1.4 g/cm3
Appearance
White crystalline powder
LogP
-0.93540

Safety Information

Hazards
H319 - H335
Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning

Computed Properties

Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
166.0437389 g/mol
Monoisotopic Mass
166.0437389 g/mol
Topological Polar Surface Area
77.8Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
171
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

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Literatures

PMID Publication Date Title Journal
22978786 2012-10-24 A structure-function relationship for the optical modulation of phenyl boronic acid-grafted, polyethylene glycol-wrapped single-walled carbon nanotubes Journal of the American Chemical Society
The molarity calculator equation

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

The dilution calculator equation

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

This equation is commonly abbreviated as: C1V1 = C2V2

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