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(E) - (3-Methylstyryl) boronic acid

CAT: 0127-OR1032299-03Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR1032299-03Size:1 g
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CAS Number
352530-26-8
Purity
98%
Smiles
B(/C=C/C1=CC=CC(=C1)C)(O)O

Chemical Information

(E)-(3-Methylstyryl)boronic acid
CAS Number352530-26-8
PubChem CID55255235
IUPAC Name[(E)-2-(3-methylphenyl)ethenyl]boronic acid
Molecular FormulaC9H11BO2
Molecular Weight162.00
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity157
SMILES
B(/C=C/C1=CC=CC(=C1)C)(O)O
InChI
InChI=1S/C9H11BO2/c1-8-3-2-4-9(7-8)5-6-10(11)12/h2-7,11-12H,1H3/b6-5+
InChIKey
XMUZKAQIQDQNBO-AATRIKPKSA-N
Chemical Structure
2D Structure
2D structure of (E)-(3-Methylstyryl)boronic acid
CAS: 352530-26-8
CID: 55255235
Formula: C9H11BO2
MW: 162.00
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight162.00
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass162.0852098
Monoisotopic Mass162.0852098
Topological Polar Surface Area40.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity157
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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