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Home > Indoles and Oxindole > 90162-49-5
90162-49-5 | 3H-Indole, 2-[2-(2,4-dimethoxyphenyl)ethenyl]-3-ethyl-3-methyl-
CAS No: 90162-49-5 Catalog No: AG00H6BQ MDL No:
Product Description
Catalog Number:
AG00H6BQ
Chemical Name:
3H-Indole, 2-[2-(2,4-dimethoxyphenyl)ethenyl]-3-ethyl-3-methyl-
CAS Number:
90162-49-5
Molecular Formula:
C21H23NO2
Molecular Weight:
321.4128
IUPAC Name:
2-[2-(2,4-dimethoxyphenyl)ethenyl]-3-ethyl-3-methylindole
InChI:
InChI=1S/C21H23NO2/c1-5-21(2)17-8-6-7-9-18(17)22-20(21)13-11-15-10-12-16(23-3)14-19(15)24-4/h6-14H,5H2,1-4H3
InChI Key:
IMCPLRRLHFOFBQ-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)OC)C=CC1=Nc2c(C1(C)CC)cccc2
Properties
Complexity:
486
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.173g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.42g/mol
Monoisotopic Mass:
321.173g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
30.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
4.7
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