(8-Methoxy-2-methylquinolin-5-yl)boronic acid trihydrate

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Product Information

Molecular Formula:
C11H18BNO6
Molecular Weight:
271.07
Description
8-Methoxy-2-methylquinolin-5-yl boronic acid trihydrate, an integral pharmaceutical intermediate, frequently manifests its utility in the concoction of medicinal prescriptions. The feature of its boronic acid element engenders its capability for intricate interactions with specified enzymes and receptors.
Synonyms
(8-Methoxy-2-methyl-5-quinolinyl)boronic acid trihydrate; (8-methoxy-2-methylquinolin-5-yl)boronic acid; trihydrate; (8-Methoxy-2-methylquinolin-5-yl)boronicacidtrihydrate; (8-Methoxy-2-methylquinolin-5-yl)boronic acid trihydrate
IUPAC Name
(8-methoxy-2-methylquinolin-5-yl)boronic acidtrihydrate
Canonical SMILES
B(C1=C2C=CC(=NC2=C(C=C1)OC)C)(O)O.O.O.O
InChI
InChI=1S/C11H12BNO3.3H2O/c1-7-3-4-8-9(12(14)15)5-6-10(16-2)11(8)13-7/h3-6,14-15H,1-2H33*1H2
InChI Key
YNPCYWXCCHWSPE-UHFFFAOYSA-N
Flash Point
Not applicable

Safety Information

Hazards
H302

Computed Properties

Hydrogen Bond Donor Count
5
Hydrogen Bond Acceptor Count
7
Rotatable Bond Count
2
Exact Mass
271.1227175 g/mol
Monoisotopic Mass
271.1227175 g/mol
Topological Polar Surface Area
65.6Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
239
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
4
Compound Is Canonicalized
Yes
The molarity calculator equation

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

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The dilution calculator equation

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

This equation is commonly abbreviated as: C1V1 = C2V2

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