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
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 |
