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(E) - (2-Methylstyryl) boronic acid

CAT: 0127-OR1031049-02Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1031049-02Size:250 mg
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CAS Number
1268631-42-0
Purity
97%
Smiles
CC1=CC=CC=C1/C=C/B(O)O

Chemical Information

[(E)-2-(2-methylphenyl)ethenyl]boronic acid
CAS Number1268631-42-0
PubChem CID55255302
IUPAC Name[(E)-2-(2-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=C1C)(O)O
InChI
InChI=1S/C9H11BO2/c1-8-4-2-3-5-9(8)6-7-10(11)12/h2-7,11-12H,1H3/b7-6+
InChIKey
JRTMWGSJUIVSRX-VOTSOKGWSA-N
Chemical Structure
2D Structure
2D structure of [(E)-2-(2-methylphenyl)ethenyl]boronic acid
CAS: 1268631-42-0
CID: 55255302
Formula: C9H11BO2
MW: 162.00
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
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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