TRANS-3-PHENYL-1-PROPEN-1-YLBORONIC ACID
Product Information
Molecular Formula
C9H11BO2
Molecular Weight
161.99344
Description
Reactant involved in: • Carbonylative arylation of allenols• Oxidative cross-coupling with (trifluoromethyl)trimethylsilane• Suzuki-Miyaura coupling reactions• three-component reductive coupling with alkynes• Enantioselective conjugation to vinyl 2-pyridylsulfones
Synonyms
TRANS-3-PHENYL-1-PROPEN-1-YLBORONIC ACID
IUPAC Name
[(E)-3-phenylprop-1-enyl]boronic acid
SMILES
B(C=CCC1=CC=CC=C1)(O)O
InChI
InChI=1S/C9H11BO2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-6,8,11-12H,7H2/b8-4+
InChI Key
GMGWFDHLFMBIDS-XBXARRHUSA-N
Boiling Point
329.152°C at 760 mmHg
Flash Point
Not applicable
Purity
95%
Density
1.085g/cm3
Appearance
White to off-white powder or crystals
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
3
Exact Mass
162.0852098 g/mol
Monoisotopic Mass
162.0852098 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
140
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
1
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
