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Home > Pyridines > 125713-88-4
125713-88-4 | Pyridinium, 1-(3-phenyl-2-propen-1-yl)-
CAS No: 125713-88-4 Catalog No: AG000OJO MDL No:
Product Description
Catalog Number:
AG000OJO
Chemical Name:
Pyridinium, 1-(3-phenyl-2-propen-1-yl)-
CAS Number:
125713-88-4
Molecular Formula:
C14H14N+
Molecular Weight:
196.2677
IUPAC Name:
1-(3-phenylprop-2-enyl)-2H-pyridine
InChI:
InChI=1S/C14H15N/c1-3-8-14(9-4-1)10-7-13-15-11-5-2-6-12-15/h1-11H,12-13H2
InChI Key:
GTNKQCHKXUPRRF-UHFFFAOYSA-N
SMILES:
c1cc[n+](cc1)CC=Cc1ccccc1
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.12g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.281g/mol
Monoisotopic Mass:
197.12g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
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