4-Hydroxy-2-methylphenylboronic Acid

Product Information

Molecular Formula:
C7H9O3B
Molecular Weight:
151.96
Description
One of the impurities of Tavaborole, which is effective against lots of fungi.
Synonyms
(4-hydroxy-2-methylphenyl)boronic acid; (4-hydroxy-2-methylphenyl)boronic acid
IUPAC Name
(4-hydroxy-2-methylphenyl)boronic acid
Canonical SMILES
B(C1=C(C=C(C=C1)O)C)(O)O
InChI
InChI=1S/C7H9BO3/c1-5-4-6(9)2-3-7(5)8(10)11/h2-4,9-11H,1H3
InChI Key
OYIYNIONWDBJIF-UHFFFAOYSA-N
Boiling Point
361.4 °C at 760 mmHg
Flash Point
Not applicable
Purity
98 %
Density
1.26 g/cm3
Appearance
Solid
LogP
-0.61960

Safety Information

Hazards
H302 - H318
Precautionary Statement
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning

Computed Properties

Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
152.0644743 g/mol
Monoisotopic Mass
152.0644743 g/mol
Topological Polar Surface Area
60.7Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
129
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

Publication Number Title Priority Date
WO-2022053000-A1 Carbocyclic amide derivative and application thereof in medicine 2020-09-10
CN-113831326-A Condensed heterocyclic derivative and application thereof in medicine 2020-06-23
WO-2021247774-A1 Gel for use in gastrointestinal endoscopy and endodermal, epidermal, and other mucosal uses 2020-06-02
US-2020397697-A1 Formulations of tie-2 activators and methods of use thereof 2019-06-24
GB-2589400-A Formulations of tie-2 activators and methods of use thereof 2019-06-24
WO-2020009176-A1 Amide compound having bet proteolysis-inducing action and medicinal application thereof 2018-07-04
JP-2020186251-A Amide compounds with BET proteolysis-inducing action and their uses as pharmaceuticals 2018-07-04
JP-6744516-B2 Amide compound having BET proteolysis-inducing action and use thereof as a medicine 2018-07-04
JP-WO2020009176-A1 Amide compound having a BET proteolysis-inducing action and use thereof as a medicine 2018-07-04
TW-202019946-A Acetamide compound with induction effect of BIT protein decomposition and its use as medicine 2018-07-04
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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