Methylboronic acid MIDA ester

Product Information

Molecular Formula:
C6H10BNO4
Molecular Weight:
170.96
Description
Representative Applications of MIDA boronates
Synonyms
MIDA boronates
IUPAC Name
2,6-dimethyl-1,3,6,2-dioxazaborocane-4,8-dione
Canonical SMILES
B1(OC(=O)CN(CC(=O)O1)C)C
InChI
InChI=1S/C6H10BNO4/c1-7-11-5(9)3-8(2)4-6(10)12-7/h3-4H2,1-2H3
InChI Key
VXMLSGMSTPGVIA-UHFFFAOYSA-N
Melting Point
255-261 °C
Flash Point
Not applicable
Purity
97%

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
0
Exact Mass
171.0702880 g/mol
Monoisotopic Mass
171.0702880 g/mol
Topological Polar Surface Area
55.8Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
188
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)

The dilution calculator equation

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

This equation is commonly abbreviated as: C1V1 = C2V2

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