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1622-95-3 | Pyridinium, 4-cyano-1-ethyl-, iodide (1:1)
CAS No: 1622-95-3 Catalog No: AG001SVW MDL No:
Product Description
Catalog Number:
AG001SVW
Chemical Name:
Pyridinium, 4-cyano-1-ethyl-, iodide (1:1)
CAS Number:
1622-95-3
Molecular Formula:
C8H9IN2
Molecular Weight:
260.0749
IUPAC Name:
1-ethylpyridin-1-ium-4-carbonitrile;iodide
InChI:
InChI=1S/C8H9N2.HI/c1-2-10-5-3-8(7-9)4-6-10;/h3-6H,2H2,1H3;1H/q+1;/p-1
InChI Key:
NOFYGICYGQVXEV-UHFFFAOYSA-M
SMILES:
N#Cc1cc[n+](cc1)CC.[I-]
NSC Number:
122837
Properties
Complexity:
137
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.981g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.078g/mol
Monoisotopic Mass:
259.981g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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