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110514-04-0

110514-04-0 | Pyridinium, 1-[2-oxo-2-(4-pyridinyl)ethyl]-, iodide

CAS No: 110514-04-0 Catalog No: AG007UTH MDL No:

Product Description

Catalog Number:
AG007UTH
Chemical Name:
Pyridinium, 1-[2-oxo-2-(4-pyridinyl)ethyl]-, iodide
CAS Number:
110514-04-0
Molecular Formula:
C12H11IN2O
Molecular Weight:
326.1330
IUPAC Name:
2-pyridin-1-ium-1-yl-1-pyridin-4-ylethanone;iodide
InChI:
InChI=1S/C12H11N2O.HI/c15-12(11-4-6-13-7-5-11)10-14-8-2-1-3-9-14;/h1-9H,10H2;1H/q+1;/p-1
InChI Key:
MDYLVFFUIWFEEO-UHFFFAOYSA-M
SMILES:
O=C(c1ccncc1)C[n+]1ccccc1.[I-]

Properties

Complexity:
206  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.992g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.137g/mol
Monoisotopic Mass:
325.992g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
33.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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