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Vinylboronic acid

CAT: 0127-OR361683Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR361683Size:1 g
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CAS Number
4363-34-2
MDL Number
MFCD02258951
Purity
=95%
Smiles
OB(O)C=C

Chemical Information

Vinylboronic acid
CAS Number4363-34-2
PubChem CID4683185
IUPAC Nameethenylboronic acid
Molecular FormulaC2H5BO2
Molecular Weight71.87
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count5
Formal Charge0
Complexity34
SMILES
B(C=C)(O)O
InChI
InChI=1S/C2H5BO2/c1-2-3(4)5/h2,4-5H,1H2
InChIKey
YFXCNIVBAVFOBX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Vinylboronic acid
CAS: 4363-34-2
CID: 4683185
Formula: C2H5BO2
MW: 71.87
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight71.87
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass72.0382596
Monoisotopic Mass72.0382596
Topological Polar Surface Area40.5 Ų
Heavy Atom Count5
Formal Charge0
Complexity34.6
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes