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Home > Indoles and Oxindole > 90162-50-8
90162-50-8 | 3H-Indole, 3,3-diethyl-2-[2-(4-methylphenyl)ethenyl]-
CAS No: 90162-50-8 Catalog No: AG00H6BP MDL No:
Product Description
Catalog Number:
AG00H6BP
Chemical Name:
3H-Indole, 3,3-diethyl-2-[2-(4-methylphenyl)ethenyl]-
CAS Number:
90162-50-8
Molecular Formula:
C21H23N
Molecular Weight:
289.4140
IUPAC Name:
3,3-diethyl-2-[2-(4-methylphenyl)ethenyl]indole
InChI:
InChI=1S/C21H23N/c1-4-21(5-2)18-8-6-7-9-19(18)22-20(21)15-14-17-12-10-16(3)11-13-17/h6-15H,4-5H2,1-3H3
InChI Key:
HPAZAQWAMIZIIE-UHFFFAOYSA-N
SMILES:
CCC1(CC)C(=Nc2c1cccc2)C=Cc1ccc(cc1)C
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.183g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.422g/mol
Monoisotopic Mass:
289.183g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
12.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.4
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