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Home > Pyridines > 189696-42-2
189696-42-2 | Pyridinium, 1-(9-methyl-9H-purin-6-yl)-
CAS No: 189696-42-2 Catalog No: AG002DW7 MDL No:
Product Description
Catalog Number:
AG002DW7
Chemical Name:
Pyridinium, 1-(9-methyl-9H-purin-6-yl)-
CAS Number:
189696-42-2
Molecular Formula:
C11H10N5+
Molecular Weight:
212.2306
IUPAC Name:
9-methyl-6-pyridin-1-ium-1-ylpurine
InChI:
InChI=1S/C11H10N5/c1-15-8-14-9-10(15)12-7-13-11(9)16-5-3-2-4-6-16/h2-8H,1H3/q+1
InChI Key:
XYDPVXCSQDTMSU-UHFFFAOYSA-N
SMILES:
Cn1cnc2c1ncnc2[n+]1ccccc1
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.094g/mol
Formal Charge:
1
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.236g/mol
Monoisotopic Mass:
212.094g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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