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Home > Pyridines > 113674-52-5
113674-52-5 | Pyridinium, 4-[2-(4-hydroxyphenyl)ethenyl]-1-methyl-
CAS No: 113674-52-5 Catalog No: AG00099H MDL No:
Product Description
Catalog Number:
AG00099H
Chemical Name:
Pyridinium, 4-[2-(4-hydroxyphenyl)ethenyl]-1-methyl-
CAS Number:
113674-52-5
Molecular Formula:
C14H14NO+
Molecular Weight:
212.2671
IUPAC Name:
4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenol
InChI:
InChI=1S/C14H13NO/c1-15-10-8-13(9-11-15)3-2-12-4-6-14(16)7-5-12/h2-11H,1H3/p+1
InChI Key:
DBOHWMPKJCJANT-UHFFFAOYSA-O
SMILES:
Oc1ccc(cc1)C=Cc1cc[n+](cc1)C
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.108g/mol
Formal Charge:
1
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.272g/mol
Monoisotopic Mass:
212.108g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
24.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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