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Home > Boronic Acids > 1029654-17-8
1029654-17-8 | 2,4,6-TRIMETHYLPYRIDINE-3-BORONIC ACID
CAS No: 1029654-17-8 Catalog No: AG008XFS MDL No:MFCD07438048
Product Description
Catalog Number:
AG008XFS
Chemical Name:
2,4,6-TRIMETHYLPYRIDINE-3-BORONIC ACID
CAS Number:
1029654-17-8
Molecular Formula:
C8H12BNO2
Molecular Weight:
164.9974
MDL Number:
MFCD07438048
IUPAC Name:
(2,4,6-trimethylpyridin-3-yl)boronic acid
InChI:
InChI=1S/C8H12BNO2/c1-5-4-6(2)10-7(3)8(5)9(11)12/h4,11-12H,1-3H3
InChI Key:
JIRJWTLUYBSLGP-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c(c(n1)C)B(O)O
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.096g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
164.999g/mol
Monoisotopic Mass:
165.096g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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