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Home > Pyridines > 113893-22-4
113893-22-4 | Pyridinium, 4-(5-dodecyn-1-yl)-1-methyl-, chloride (1:1)
CAS No: 113893-22-4 Catalog No: AG000A08 MDL No:
Product Description
Catalog Number:
AG000A08
Chemical Name:
Pyridinium, 4-(5-dodecyn-1-yl)-1-methyl-, chloride (1:1)
CAS Number:
113893-22-4
Molecular Formula:
C18H28ClN
Molecular Weight:
293.8746
IUPAC Name:
4-dodec-5-ynyl-1-methylpyridin-1-ium;chloride
InChI:
InChI=1S/C18H28N.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-18-14-16-19(2)17-15-18;/h14-17H,3-7,10-13H2,1-2H3;1H/q+1;/p-1
InChI Key:
LZUOHGXEZYUPFW-UHFFFAOYSA-M
SMILES:
CCCCCCC#CCCCCc1cc[n+](cc1)C.[Cl-]
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.191g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.879g/mol
Monoisotopic Mass:
293.191g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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