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141227-27-2 | Pyridinium, 4-ethynyl-1-methyl-, iodide (1:1)
CAS No: 141227-27-2 Catalog No: AG001G3G MDL No:
Product Description
Catalog Number:
AG001G3G
Chemical Name:
Pyridinium, 4-ethynyl-1-methyl-, iodide (1:1)
CAS Number:
141227-27-2
Molecular Formula:
C8H8IN
Molecular Weight:
245.0603
IUPAC Name:
4-ethynyl-1-methylpyridin-1-ium;iodide
InChI:
InChI=1S/C8H8N.HI/c1-3-8-4-6-9(2)7-5-8;/h1,4-7H,2H3;1H/q+1;/p-1
InChI Key:
HZLZOUNTEQVRLY-UHFFFAOYSA-M
SMILES:
C#Cc1cc[n+](cc1)C.[I-]
Properties
Complexity:
123
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.97g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.063g/mol
Monoisotopic Mass:
244.97g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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