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Home > Indoles and Oxindole > 80988-60-9
80988-60-9 | 3H-Indolium, 2-[2-(4-methoxyphenyl)ethenyl]-1,3,3-trimethyl-
CAS No: 80988-60-9 Catalog No: AG0056MJ MDL No:
Product Description
Catalog Number:
AG0056MJ
Chemical Name:
3H-Indolium, 2-[2-(4-methoxyphenyl)ethenyl]-1,3,3-trimethyl-
CAS Number:
80988-60-9
Molecular Formula:
C20H22NO+
Molecular Weight:
292.3948
IUPAC Name:
2-[2-(4-methoxyphenyl)ethenyl]-1,3,3-trimethylindol-1-ium
InChI:
InChI=1S/C20H22NO/c1-20(2)17-7-5-6-8-18(17)21(3)19(20)14-11-15-9-12-16(22-4)13-10-15/h5-14H,1-4H3/q+1
InChI Key:
AESIHUSCPZMZBD-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C=CC1=[N+](C)c2c(C1(C)C)cccc2
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.17g/mol
Formal Charge:
1
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.402g/mol
Monoisotopic Mass:
292.17g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
12.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.2
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