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21945-42-6 | 4-[(E)-2-Phenylethenyl]pyridin-1-ium-1-olate
CAS No: 21945-42-6 Catalog No: AG01FARM MDL No:
Product Description
Catalog Number:
AG01FARM
Chemical Name:
4-[(E)-2-Phenylethenyl]pyridin-1-ium-1-olate
CAS Number:
21945-42-6
Molecular Formula:
C13H11NO
Molecular Weight:
197.2325
IUPAC Name:
1-oxido-4-[(E)-2-phenylethenyl]pyridin-1-ium
InChI:
InChI=1S/C13H11NO/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-11H/b7-6+
InChI Key:
PRRGAMKJYDZXJH-VOTSOKGWSA-N
SMILES:
[O-][n+]1ccc(cc1)/C=C/c1ccccc1
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
197.084g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.237g/mol
Monoisotopic Mass:
197.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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