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7206-40-8 | Pyridinium, 1-octadecyl-, iodide
CAS No: 7206-40-8 Catalog No: AG005NMH MDL No:
Product Description
Catalog Number:
AG005NMH
Chemical Name:
Pyridinium, 1-octadecyl-, iodide
CAS Number:
7206-40-8
Molecular Formula:
C23H42IN
Molecular Weight:
459.4908
IUPAC Name:
1-octadecylpyridin-1-ium;iodide
InChI:
InChI=1S/C23H42N.HI/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-24-22-19-17-20-23-24;/h17,19-20,22-23H,2-16,18,21H2,1H3;1H/q+1;/p-1
InChI Key:
TTXLFUJSPVEFDO-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCCCCCCCC[n+]1ccccc1.[I-]
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
459.236g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
459.5g/mol
Monoisotopic Mass:
459.236g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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