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3-Pyridineboronic Acid

CAT: 0024-sc-216541Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-216541Size:1 g
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CAS Number
1692-25-7

Chemical Information

3-Pyridinylboronic acid

structure in first source

CAS Number1692-25-7
PubChem CID2734378
IUPAC Namepyridin-3-ylboronic acid
Molecular FormulaC5H6BNO2
Molecular Weight122.92
Topological Polar Surface Area53.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity89
SMILES
B(C1=CN=CC=C1)(O)O
InChI
InChI=1S/C5H6BNO2/c8-6(9)5-2-1-3-7-4-5/h1-4,8-9H
InChIKey
ABMYEXAYWZJVOV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Pyridinylboronic acid
CAS: 1692-25-7
CID: 2734378
Formula: C5H6BNO2
MW: 122.92
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight122.92
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass123.0491586
Monoisotopic Mass123.0491586
Topological Polar Surface Area53.4 Ų
Heavy Atom Count9
Formal Charge0
Complexity89
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

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