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87434-82-0 | 4H-Imidazo[4,5-c]pyridin-4-one, 6-amino-3,5-dihydro-, methanesulfonate (1:1)
CAS No: 87434-82-0 Catalog No: AG004FY1 MDL No:
Product Description
Catalog Number:
AG004FY1
Chemical Name:
4H-Imidazo[4,5-c]pyridin-4-one, 6-amino-3,5-dihydro-, methanesulfonate (1:1)
CAS Number:
87434-82-0
Molecular Formula:
C7H10N4O4S
Molecular Weight:
246.2437
IUPAC Name:
6-amino-1,5-dihydroimidazo[4,5-c]pyridin-4-one;methanesulfonic acid
InChI:
InChI=1S/C6H6N4O.CH4O3S/c7-4-1-3-5(6(11)10-4)9-2-8-3;1-5(2,3)4/h1-2H,(H,8,9)(H3,7,10,11);1H3,(H,2,3,4)
InChI Key:
ZNTIXVYOBQDFFV-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)O.Nc1cc2nc[nH]c2c(=O)[nH]1
UNII:
H56TJ4554M
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.042g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
246.241g/mol
Monoisotopic Mass:
246.042g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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