3-METHYL-2-BUTEN-2-YLBORONIC &

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Product Information

Molecular Formula:
C5H11BO2
Molecular Weight:
113.951
Description
Reactant involved in: • Synthesis of 8-alkenylboronpyrromethene dyes• Addition reactions with N-methyliminodiacetic acid or aromatic, heteroaromatic or aliphatic aldehydes• Arylation of methyl o-formylbenzoates• Synthesis of tert-butanesulfinyl α-branched allylic amines
Synonyms
3-Methyl-2-buten-2-ylboronic acid; (3-Methylbut-2-en-2-yl)boronic acid; 3-methylbut-2-en-2-ylboronic acid; 3-METHYL-2-BUTEN-2-YLBORONIC &; (3-Methylbut-2-en-2-yl)boronicacid; (1,2-dimethyl-1-propen-1-yl)boronic acid
IUPAC Name
3-methylbut-2-en-2-ylboronic acid
Canonical SMILES
B(C(=C(C)C)C)(O)O
InChI
InChI=1S/C5H11BO2/c1-4(2)5(3)6(7)8/h7-8H,1-3H3
InChI Key
ONHWZTRGTFWBIX-UHFFFAOYSA-N
Boiling Point
211.6°C at 760 mmHg
Melting Point
173-178°C(lit.)
Flash Point
Not applicable
Purity
98%
Density
0.939g/cm3
Storage
2-8°C

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
114.0852098 g/mol
Monoisotopic Mass
114.0852098 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
8
Formal Charge
0
Complexity
103
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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