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679788-33-1 | Pyridinium, 2-[(1E)-2-(2-furanyl)ethenyl]-1-methyl-, iodide
CAS No: 679788-33-1 Catalog No: AG0061NH MDL No:
Product Description
Catalog Number:
AG0061NH
Chemical Name:
Pyridinium, 2-[(1E)-2-(2-furanyl)ethenyl]-1-methyl-, iodide
CAS Number:
679788-33-1
Molecular Formula:
C12H12INO
Molecular Weight:
313.1343
IUPAC Name:
2-[2-(furan-2-yl)ethenyl]-1-methylpyridin-1-ium;iodide
InChI:
InChI=1S/C12H12NO.HI/c1-13-9-3-2-5-11(13)7-8-12-6-4-10-14-12;/h2-10H,1H3;1H/q+1;/p-1
InChI Key:
RUJVOUJFXDASNG-UHFFFAOYSA-M
SMILES:
C[n+]1ccccc1/C=C/c1ccco1.[I-]
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.996g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.138g/mol
Monoisotopic Mass:
312.996g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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