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16860-12-1 | Pyridinium, 4-[2-(2-hydroxyphenyl)ethenyl]-1-methyl-, iodide (1:1)
CAS No: 16860-12-1 Catalog No: AG001Y62 MDL No:
Product Description
Catalog Number:
AG001Y62
Chemical Name:
Pyridinium, 4-[2-(2-hydroxyphenyl)ethenyl]-1-methyl-, iodide (1:1)
CAS Number:
16860-12-1
Molecular Formula:
C14H14INO
Molecular Weight:
339.1715
IUPAC Name:
2-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenol;iodide
InChI:
InChI=1S/C14H13NO.HI/c1-15-10-8-12(9-11-15)6-7-13-4-2-3-5-14(13)16;/h2-11H,1H3;1H
InChI Key:
GDHQDPIIFNAXCT-UHFFFAOYSA-N
SMILES:
C[n+]1ccc(cc1)C=Cc1ccccc1O.[I-]
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.012g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
339.176g/mol
Monoisotopic Mass:
339.012g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
24.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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