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173960-59-3 | Pyridinium, 1-[2-(4-methyl-2-pyridinyl)-2-oxoethyl]-, iodide (1:1)
CAS No: 173960-59-3 Catalog No: AG001ZBO MDL No:
Product Description
Catalog Number:
AG001ZBO
Chemical Name:
Pyridinium, 1-[2-(4-methyl-2-pyridinyl)-2-oxoethyl]-, iodide (1:1)
CAS Number:
173960-59-3
Molecular Formula:
C13H13IN2O
Molecular Weight:
340.1596
IUPAC Name:
1-(4-methylpyridin-2-yl)-2-pyridin-1-ium-1-ylethanone;iodide
InChI:
InChI=1S/C13H13N2O.HI/c1-11-5-6-14-12(9-11)13(16)10-15-7-3-2-4-8-15;/h2-9H,10H2,1H3;1H/q+1;/p-1
InChI Key:
WFRFRVAEVIAFSI-UHFFFAOYSA-M
SMILES:
Cc1ccnc(c1)C(=O)C[n+]1ccccc1.[I-]
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.007g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.164g/mol
Monoisotopic Mass:
340.007g/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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