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Home > Indoles and Oxindole > 836682-40-7
836682-40-7 | 1H-Indole, 1-(2-ethylhexyl)-
CAS No: 836682-40-7 Catalog No: AG004TKU MDL No:
Product Description
Catalog Number:
AG004TKU
Chemical Name:
1H-Indole, 1-(2-ethylhexyl)-
CAS Number:
836682-40-7
Molecular Formula:
C16H23N
Molecular Weight:
229.3605
IUPAC Name:
1-(2-ethylhexyl)indole
InChI:
InChI=1S/C16H23N/c1-3-5-8-14(4-2)13-17-12-11-15-9-6-7-10-16(15)17/h6-7,9-12,14H,3-5,8,13H2,1-2H3
InChI Key:
BUIHQQHBTMFKCB-UHFFFAOYSA-N
SMILES:
CCCCC(Cn1ccc2c1cccc2)CC
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.183g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.367g/mol
Monoisotopic Mass:
229.183g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
4.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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