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110818-62-7 | 1-ETHYL-2-(2-THENYLIDENEMETHYL)PYRIDINIUM IODIDE
CAS No: 110818-62-7 Catalog No: AG0083C4 MDL No:
Product Description
Catalog Number:
AG0083C4
Chemical Name:
1-ETHYL-2-(2-THENYLIDENEMETHYL)PYRIDINIUM IODIDE
CAS Number:
110818-62-7
Molecular Formula:
C13H14INS
Molecular Weight:
343.2264
IUPAC Name:
1-ethyl-2-(2-thiophen-2-ylethenyl)pyridin-1-ium;iodide
InChI:
InChI=1S/C13H14NS.HI/c1-2-14-10-4-3-6-12(14)8-9-13-7-5-11-15-13;/h3-11H,2H2,1H3;1H/q+1;/p-1
InChI Key:
JAPMKKOEQAMKTL-UHFFFAOYSA-M
SMILES:
CC[n+]1ccccc1C=Cc1cccs1.[I-]
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.989g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
343.226g/mol
Monoisotopic Mass:
342.989g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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