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1137-94-6 | Pyridinium, 1-(2-oxo-2-phenylethyl)-, iodide (1:1)
CAS No: 1137-94-6 Catalog No: AG0009DQ MDL No:MFCD00140540
Product Description
Catalog Number:
AG0009DQ
Chemical Name:
Pyridinium, 1-(2-oxo-2-phenylethyl)-, iodide (1:1)
CAS Number:
1137-94-6
Molecular Formula:
C13H12INO
Molecular Weight:
325.1449
MDL Number:
MFCD00140540
IUPAC Name:
1-phenyl-2-pyridin-1-ium-1-ylethanone;iodide
InChI:
InChI=1S/C13H12NO.HI/c15-13(12-7-3-1-4-8-12)11-14-9-5-2-6-10-14;/h1-10H,11H2;1H/q+1;/p-1
InChI Key:
MGHSHTLXYKVOEN-UHFFFAOYSA-M
SMILES:
O=C(c1ccccc1)C[n+]1ccccc1.[I-]
NSC Number:
114535
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.996g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.149g/mol
Monoisotopic Mass:
324.996g/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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