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20111-34-6 | Pyridinium, 1-methyl-4-[(1E)-2-phenylethenyl]-, iodide (9CI)
CAS No: 20111-34-6 Catalog No: AG002D7S MDL No:
Product Description
Catalog Number:
AG002D7S
Chemical Name:
Pyridinium, 1-methyl-4-[(1E)-2-phenylethenyl]-, iodide (9CI)
CAS Number:
20111-34-6
Molecular Formula:
C14H14IN
Molecular Weight:
323.1721
IUPAC Name:
1-methyl-4-(2-phenylethenyl)pyridin-1-ium;iodide
InChI:
InChI=1S/C14H14N.HI/c1-15-11-9-14(10-12-15)8-7-13-5-3-2-4-6-13;/h2-12H,1H3;1H/q+1;/p-1
InChI Key:
GNKSSHJEDYJKMZ-UHFFFAOYSA-M
SMILES:
C[n+]1ccc(cc1)/C=C/c1ccccc1.[I-]
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.017g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
323.177g/mol
Monoisotopic Mass:
323.017g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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