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228121-63-9 | Pyridinium, 1-methyl-4-[(1E)-2-(1-methyl-1H-pyrrol-2-yl)ethenyl]-, iodide
CAS No: 228121-63-9 Catalog No: AG007NPF MDL No:
Product Description
Catalog Number:
AG007NPF
Chemical Name:
Pyridinium, 1-methyl-4-[(1E)-2-(1-methyl-1H-pyrrol-2-yl)ethenyl]-, iodide
CAS Number:
228121-63-9
Molecular Formula:
C13H15IN2
Molecular Weight:
326.1761
IUPAC Name:
1-methyl-4-[2-(1-methylpyrrol-2-yl)ethenyl]pyridin-1-ium;iodide
InChI:
InChI=1S/C13H15N2.HI/c1-14-10-7-12(8-11-14)5-6-13-4-3-9-15(13)2;/h3-11H,1-2H3;1H/q+1;/p-1
InChI Key:
LQUBNVAMFALYMS-UHFFFAOYSA-M
SMILES:
C[n+]1ccc(cc1)/C=C/c1cccn1C.[I-]
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.028g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.181g/mol
Monoisotopic Mass:
326.028g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
8.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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