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87359-55-5 | 1H-Imidazo[4,5-c]pyridine, 2-(2,4-dimethoxyphenyl)-, 5-oxide
CAS No: 87359-55-5 Catalog No: AG004KP7 MDL No:
Product Description
Catalog Number:
AG004KP7
Chemical Name:
1H-Imidazo[4,5-c]pyridine, 2-(2,4-dimethoxyphenyl)-, 5-oxide
CAS Number:
87359-55-5
Molecular Formula:
C14H13N3O3
Molecular Weight:
271.2713
IUPAC Name:
2-(2,4-dimethoxyphenyl)-5-hydroxyimidazo[4,5-c]pyridine
InChI:
InChI=1S/C14H13N3O3/c1-19-9-3-4-10(13(7-9)20-2)14-15-11-5-6-17(18)8-12(11)16-14/h3-8,18H,1-2H3
InChI Key:
FJIFVTFFEGVIHK-UHFFFAOYSA-N
SMILES:
COc1cc(OC)ccc1c1nc2c([nH]1)cc[n+](c2)[O-]
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.096g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.276g/mol
Monoisotopic Mass:
271.096g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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