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1208-56-6 | 2-(2-Phenylethyl)pyridin-1-ium-1-olate
CAS No: 1208-56-6 Catalog No: AG01FCKF MDL No:
Product Description
Catalog Number:
AG01FCKF
Chemical Name:
2-(2-Phenylethyl)pyridin-1-ium-1-olate
CAS Number:
1208-56-6
Molecular Formula:
C13H13NO
Molecular Weight:
199.2484
IUPAC Name:
1-oxido-2-(2-phenylethyl)pyridin-1-ium
InChI:
InChI=1S/C13H13NO/c15-14-11-5-4-8-13(14)10-9-12-6-2-1-3-7-12/h1-8,11H,9-10H2
InChI Key:
UUKOXYRDCFRTDZ-UHFFFAOYSA-N
SMILES:
[O-][n+]1ccccc1CCc1ccccc1
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.1g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.253g/mol
Monoisotopic Mass:
199.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
25.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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