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Home > Boronic Acids > 1314135-84-6
1314135-84-6 | 2-Hydroxymethylpyridine-4-boronic acid pinacol ester
CAS No: 1314135-84-6 Catalog No: AG009BQJ MDL No:MFCD12025437
Product Description
Catalog Number:
AG009BQJ
Chemical Name:
2-Hydroxymethylpyridine-4-boronic acid pinacol ester
CAS Number:
1314135-84-6
Molecular Formula:
C12H18BNO3
Molecular Weight:
235.0872
MDL Number:
MFCD12025437
IUPAC Name:
[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]methanol
InChI:
InChI=1S/C12H18BNO3/c1-11(2)12(3,4)17-13(16-11)9-5-6-14-10(7-9)8-15/h5-7,15H,8H2,1-4H3
InChI Key:
QEOGMZZLSXEKIW-UHFFFAOYSA-N
SMILES:
OCc1nccc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.138g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.09g/mol
Monoisotopic Mass:
235.138g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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