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Home > Indoles and Oxindole > 77413-49-1
77413-49-1 | 3H-Indolium, 2-[2-(4-methoxyphenyl)ethenyl]-3,3-dimethyl-1-phenyl-
CAS No: 77413-49-1 Catalog No: AG005BE3 MDL No:
Product Description
Catalog Number:
AG005BE3
Chemical Name:
3H-Indolium, 2-[2-(4-methoxyphenyl)ethenyl]-3,3-dimethyl-1-phenyl-
CAS Number:
77413-49-1
Molecular Formula:
C25H24NO+
Molecular Weight:
354.4642
IUPAC Name:
2-[2-(4-methoxyphenyl)ethenyl]-3,3-dimethyl-1-phenylindol-1-ium
InChI:
InChI=1S/C25H24NO/c1-25(2)22-11-7-8-12-23(22)26(20-9-5-4-6-10-20)24(25)18-15-19-13-16-21(27-3)17-14-19/h4-18H,1-3H3/q+1
InChI Key:
VOAWMUSZVKCZES-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C=CC1=[N+](c2ccccc2)c2c(C1(C)C)cccc2
Properties
Complexity:
561
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.186g/mol
Formal Charge:
1
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.473g/mol
Monoisotopic Mass:
354.186g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
12.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.9
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