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Home > Indoles and Oxindole > 692717-80-9
692717-80-9 | 4-[(E)-2-(1H-Indol-3-yl)-vinyl]-1-methyl-pyridinium
CAS No: 692717-80-9 Catalog No: AG01EWZI MDL No:
Product Description
Catalog Number:
AG01EWZI
Chemical Name:
4-[(E)-2-(1H-Indol-3-yl)-vinyl]-1-methyl-pyridinium
CAS Number:
692717-80-9
Molecular Formula:
C16H15N2+
Molecular Weight:
235.3037
IUPAC Name:
3-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-1H-indole
InChI:
InChI=1S/C16H14N2/c1-18-10-8-13(9-11-18)6-7-14-12-17-16-5-3-2-4-15(14)16/h2-12H,1H3/p+1
InChI Key:
REPRLCRXMJXHAW-UHFFFAOYSA-O
SMILES:
C[n+]1ccc(cc1)/C=C/c1c[nH]c2c1cccc2
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
235.124g/mol
Formal Charge:
1
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.31g/mol
Monoisotopic Mass:
235.124g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
19.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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