Methylboronic acid MIDA ester

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Molecular Formula:

C6H10BNO4

Molecular Weight:

170.96

CAS Number:

1104637-40-2

Catalog Number:

1104637-40-2

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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

171.0702880 g/mol

Monoisotopic Mass

171.0702880 g/mol

Topological Polar Surface Area

55.8Å²

Heavy Atom Count

Formal Charge

Complexity

188

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

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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Methylboronic acid MIDA ester

Product Information

Computed Properties

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