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Home > Boronic Acids > 1111637-72-9
1111637-72-9 | 6-acetamido-4-methylpyridine-3-boronic acid
CAS No: 1111637-72-9 Catalog No: AG0097ME MDL No:MFCD12964547
Product Description
Catalog Number:
AG0097ME
Chemical Name:
6-acetamido-4-methylpyridine-3-boronic acid
CAS Number:
1111637-72-9
Molecular Formula:
C8H11BN2O3
Molecular Weight:
193.9955
MDL Number:
MFCD12964547
IUPAC Name:
(6-acetamido-4-methylpyridin-3-yl)boronic acid
InChI:
InChI=1S/C8H11BN2O3/c1-5-3-8(11-6(2)12)10-4-7(5)9(13)14/h3-4,13-14H,1-2H3,(H,10,11,12)
InChI Key:
PKUXQHBKIUCFPL-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1ncc(c(c1)C)B(O)O
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.086g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
193.997g/mol
Monoisotopic Mass:
194.086g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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