2-(3-Hydroxyphenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione

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Product Information

Molecular Formula
C11H12NO5B
Molecular Weight
249.03
Description
Suzuki Cross-Coupling with MIDA Boronates.
Synonyms
2-(3-hydroxyphenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione; 2-(3-hydroxyphenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
IUPAC Name
2-(3-hydroxyphenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
SMILES
B1(OC(=O)CN(CC(=O)O1)C)C2=CC(=CC=C2)O
InChI
InChI=1S/C11H12BNO5/c1-13-6-10(15)17-12(18-11(16)7-13)8-3-2-4-9(14)5-8/h2-5,14H,6-7H2,1H3
InChI Key
NZNGUMOTSLXTJB-UHFFFAOYSA-N
Melting Point
204-209 °C
Flash Point
Not applicable
Purity
97 %
LogP
-0.94290

Safety Information

Hazards
H302
Precautionary Statement
P264, P270, P301+P317, P330, and P501
Signal Word
Warning

Computed Properties

Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
1
Exact Mass
249.0808526 g/mol
Monoisotopic Mass
249.0808526 g/mol
Topological Polar Surface Area
76.1Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
317
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
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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