Boronic acid,B-[2-methyl-4-(1-methylethoxy)phenyl]-
Product Information
Molecular Formula
C10H15 B O3
Molecular Weight
194.04
Description
Boronic Acid, B-[2-methyl-4-(1-methylethoxy)phenyl]- is an indispensable compound within the biomedical industry. Its exceptional versatility finds implementation in formulating treatments for diseases like cancer, diabetes, and inflammation. Its unique chemical attributes contribute immensely to the development of effective drugs, ensuring potent therapeutic interventions against these maladies.
Synonyms
(4-ISOPROPOXY-2-METHYL)BENZENEBORONIC ACID; 4-ISOPROPOXY-2-METHYLPHENYLBORONIC ACID
IUPAC Name
(2-methyl-4-propan-2-yloxyphenyl)boronic acid
SMILES
B(C1=C(C=C(C=C1)OC(C)C)C)(O)O
InChI
InChI=1S/C10H15BO3/c1-7(2)14-9-4-5-10(11(12)13)8(3)6-9/h4-7,12-13H,1-3H3
InChI Key
OEBXBUNQDNBWRP-UHFFFAOYSA-N
Melting Point
112-116 °C
Purity
98%
Appearance
White to tan powder, crystals, crystalline powder and/or chunks
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
194.1114245 g/mol
Monoisotopic Mass
194.1114245 g/mol
Topological Polar Surface Area
49.7Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
173
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
