2-Acetyl-3-thienylboronic acid

Inquiry

Molecular Formula:

C6H7BO3S

Molecular Weight:

170.0

CAS Number:

36155-74-5

Catalog Number:

36155-74-5

Product Information

Molecular Formula:

C6H7BO3S

Molecular Weight:

170.0

Description

may contain varying amounts of anhydride

Synonyms

2-Acetyl-3-thienylboronic acid

IUPAC Name

(2-acetylthiophen-3-yl)boronic acid

Canonical SMILES

B(C1=C(SC=C1)C(=O)C)(O)O

InChI

InChI=1S/C6H7BO3S/c1-4(8)6-5(7(9)10)2-3-11-6/h2-3,9-10H,1H3

InChI Key

QTGPYSQUEPGBHV-UHFFFAOYSA-N

Melting Point

120-130 °C

Purity

95%

Appearance

White to tan powder or crystals

Storage

2-8°C

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

170.0208954 g/mol

Monoisotopic Mass

170.0208954 g/mol

Topological Polar Surface Area

85.8Å²

Heavy Atom Count

Formal Charge

Complexity

162

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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Concentration _(final)

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2-Acetyl-3-thienylboronic acid

Product Information

Computed Properties

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