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Home > Pyridines > 223439-43-8
223439-43-8 | 4-[(E)-2-(4-Methoxyphenyl)ethenyl]pyridin-1-ium-1-olate
CAS No: 223439-43-8 Catalog No: AG01F7TG MDL No:MFCD00825705
Product Description
Catalog Number:
AG01F7TG
Chemical Name:
4-[(E)-2-(4-Methoxyphenyl)ethenyl]pyridin-1-ium-1-olate
CAS Number:
223439-43-8
Molecular Formula:
C14H13NO2
Molecular Weight:
227.2585
MDL Number:
MFCD00825705
IUPAC Name:
4-[(E)-2-(4-methoxyphenyl)ethenyl]-1-oxidopyridin-1-ium
InChI:
InChI=1S/C14H13NO2/c1-17-14-6-4-12(5-7-14)2-3-13-8-10-15(16)11-9-13/h2-11H,1H3/b3-2+
InChI Key:
RNZVQHMYHZOHFA-NSCUHMNNSA-N
SMILES:
COc1ccc(cc1)/C=C/c1cc[n+](cc1)[O-]
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
227.095g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.263g/mol
Monoisotopic Mass:
227.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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