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112777-13-6 | Pyridinium, 1-[2-(2,4-dimethylphenyl)-2-oxoethyl]-, iodide
CAS No: 112777-13-6 Catalog No: AG0081UG MDL No:
Product Description
Catalog Number:
AG0081UG
Chemical Name:
Pyridinium, 1-[2-(2,4-dimethylphenyl)-2-oxoethyl]-, iodide
CAS Number:
112777-13-6
Molecular Formula:
C15H16INO
Molecular Weight:
353.1981
IUPAC Name:
1-(2,4-dimethylphenyl)-2-pyridin-1-ium-1-ylethanone;iodide
InChI:
InChI=1S/C15H16NO.HI/c1-12-6-7-14(13(2)10-12)15(17)11-16-8-4-3-5-9-16;/h3-10H,11H2,1-2H3;1H/q+1;/p-1
InChI Key:
LGAQDFWLBOYFEB-UHFFFAOYSA-M
SMILES:
Cc1ccc(c(c1)C)C(=O)C[n+]1ccccc1.[I-]
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.028g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
353.203g/mol
Monoisotopic Mass:
353.028g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
21A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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