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88477-54-7 | Pyridinium, 1-hexyl-3,5-dimethyl-, iodide
CAS No: 88477-54-7 Catalog No: AG004AFP MDL No:
Product Description
Catalog Number:
AG004AFP
Chemical Name:
Pyridinium, 1-hexyl-3,5-dimethyl-, iodide
CAS Number:
88477-54-7
Molecular Formula:
C13H22IN
Molecular Weight:
319.2249
IUPAC Name:
1-hexyl-3,5-dimethylpyridin-1-ium;iodide
InChI:
InChI=1S/C13H22N.HI/c1-4-5-6-7-8-14-10-12(2)9-13(3)11-14;/h9-11H,4-8H2,1-3H3;1H/q+1;/p-1
InChI Key:
YYQMWWBPXPPJOL-UHFFFAOYSA-M
SMILES:
CCCCCC[n+]1cc(C)cc(c1)C.[I-]
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.08g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.23g/mol
Monoisotopic Mass:
319.08g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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