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13441-53-7 | 4-formyl-1-methylpyridin-1-ium iodide
CAS No: 13441-53-7 Catalog No: AG01DVVU MDL No:MFCD00955994
Product Description
Catalog Number:
AG01DVVU
Chemical Name:
4-formyl-1-methylpyridin-1-ium iodide
CAS Number:
13441-53-7
Molecular Formula:
C7H8INO
Molecular Weight:
249.0490
MDL Number:
MFCD00955994
IUPAC Name:
1-methylpyridin-1-ium-4-carbaldehyde;iodide
InChI:
InChI=1S/C7H8NO.HI/c1-8-4-2-7(6-9)3-5-8;/h2-6H,1H3;1H/q+1;/p-1
InChI Key:
ZXBSOTYVIHPBDT-UHFFFAOYSA-M
SMILES:
O=Cc1cc[n+](cc1)C.[I-]
NSC Number:
204945
Properties
Complexity:
95.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.965g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.051g/mol
Monoisotopic Mass:
248.965g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
21A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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