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1194-04-3

1194-04-3 | Pyridinium, 4-cyano-1-methyl-, iodide (1:1)

CAS No: 1194-04-3 Catalog No: AG000IP0 MDL No:MFCD00031911

Product Description

Catalog Number:
AG000IP0
Chemical Name:
Pyridinium, 4-cyano-1-methyl-, iodide (1:1)
CAS Number:
1194-04-3
Molecular Formula:
C7H7IN2
Molecular Weight:
246.0484
MDL Number:
MFCD00031911
IUPAC Name:
1-methylpyridin-1-ium-4-carbonitrile;iodide
InChI:
InChI=1S/C7H7N2.HI/c1-9-4-2-7(6-8)3-5-9;/h2-5H,1H3;1H/q+1;/p-1
InChI Key:
HQYMOWHFGSCKGU-UHFFFAOYSA-M
SMILES:
N#Cc1cc[n+](cc1)C.[I-]
NSC Number:
122827

Properties

Complexity:
125  
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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