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1004-16-6 | 3-cyano-1-methylpyridin-1-ium iodide
CAS No: 1004-16-6 Catalog No: AG019LZX MDL No:MFCD00229410
Product Description
Catalog Number:
AG019LZX
Chemical Name:
3-cyano-1-methylpyridin-1-ium iodide
CAS Number:
1004-16-6
Molecular Formula:
C7H7IN2
Molecular Weight:
246.0484
MDL Number:
MFCD00229410
IUPAC Name:
1-methylpyridin-1-ium-3-carbonitrile;iodide
InChI:
InChI=1S/C7H7N2.HI/c1-9-4-2-3-7(5-8)6-9;/h2-4,6H,1H3;1H/q+1;/p-1
InChI Key:
QOYXETVGUYSYRK-UHFFFAOYSA-M
SMILES:
N#Cc1ccc[n+](c1)C.[I-]
NSC Number:
138815
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.965g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.051g/mol
Monoisotopic Mass:
245.965g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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