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88477-43-4 | Pyridinium, 1-hexyl-3,4-dimethyl-, iodide
CAS No: 88477-43-4 Catalog No: AG0049WS MDL No:
Product Description
Catalog Number:
AG0049WS
Chemical Name:
Pyridinium, 1-hexyl-3,4-dimethyl-, iodide
CAS Number:
88477-43-4
Molecular Formula:
C13H22IN
Molecular Weight:
319.2249
IUPAC Name:
1-hexyl-3,4-dimethylpyridin-1-ium;iodide
InChI:
InChI=1S/C13H22N.HI/c1-4-5-6-7-9-14-10-8-12(2)13(3)11-14;/h8,10-11H,4-7,9H2,1-3H3;1H/q+1;/p-1
InChI Key:
OIKXCJRTCNHXBS-UHFFFAOYSA-M
SMILES:
CCCCCC[n+]1ccc(c(c1)C)C.[I-]
Properties
Complexity:
144
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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