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1797210-14-0 | 3-{1-methyl-2-oxo-1H,2H,3H-imidazo[4,5-b]pyridin-6-yl}benzoic acid
CAS No: 1797210-14-0 Catalog No: AG01A6G2 MDL No:MFCD27500665
Product Description
Catalog Number:
AG01A6G2
Chemical Name:
3-{1-methyl-2-oxo-1H,2H,3H-imidazo[4,5-b]pyridin-6-yl}benzoic acid
CAS Number:
1797210-14-0
Molecular Formula:
C14H11N3O3
Molecular Weight:
269.2554
MDL Number:
MFCD27500665
IUPAC Name:
3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzoic acid
InChI:
InChI=1S/C14H11N3O3/c1-17-11-6-10(7-15-12(11)16-14(17)20)8-3-2-4-9(5-8)13(18)19/h2-7H,1H3,(H,18,19)(H,15,16,20)
InChI Key:
NODWKXBQGYKYOG-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)c1cnc2c(c1)n(C)c(=O)[nH]2
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.08g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
269.26g/mol
Monoisotopic Mass:
269.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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