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Home > Boronic Acids > 202824-51-9
202824-51-9 | Boronic acid, (1,2-dihydro-4,8-dimethoxy-2-oxo-3-quinolinyl)- (9CI)
CAS No: 202824-51-9 Catalog No: AG0028G3 MDL No:
Product Description
Catalog Number:
AG0028G3
Chemical Name:
Boronic acid, (1,2-dihydro-4,8-dimethoxy-2-oxo-3-quinolinyl)- (9CI)
CAS Number:
202824-51-9
Molecular Formula:
C11H12BNO5
Molecular Weight:
249.0277
IUPAC Name:
(4,8-dimethoxy-2-oxo-1H-quinolin-3-yl)boronic acid
InChI:
InChI=1S/C11H12BNO5/c1-17-7-5-3-4-6-9(7)13-11(14)8(12(15)16)10(6)18-2/h3-5,15-16H,1-2H3,(H,13,14)
InChI Key:
YDGKBAXSULHQJN-UHFFFAOYSA-N
SMILES:
COc1c(B(O)O)c(=O)[nH]c2c1cccc2OC
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.081g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
249.029g/mol
Monoisotopic Mass:
249.081g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
88A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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