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848360-78-1 | Boronic acid, [6-(dimethylamino)-4-methoxy-3-pyridinyl]- (9CI)
CAS No: 848360-78-1 Catalog No: AG004N48 MDL No:
Product Description
Catalog Number:
AG004N48
Chemical Name:
Boronic acid, [6-(dimethylamino)-4-methoxy-3-pyridinyl]- (9CI)
CAS Number:
848360-78-1
Molecular Formula:
C8H13BN2O3
Molecular Weight:
196.0114
IUPAC Name:
[6-(dimethylamino)-4-methoxypyridin-3-yl]boronic acid
InChI:
InChI=1S/C8H13BN2O3/c1-11(2)8-4-7(14-3)6(5-10-8)9(12)13/h4-5,12-13H,1-3H3
InChI Key:
NEKJUWAYMREFEB-UHFFFAOYSA-N
SMILES:
COc1cc(ncc1B(O)O)N(C)C
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.102g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
196.013g/mol
Monoisotopic Mass:
196.102g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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