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Home > Indoles and Oxindole > 113606-74-9
113606-74-9 | 1H-Indole, 1-methyl-3-(1-methylethyl)-2-(2-methylpropyl)-
CAS No: 113606-74-9 Catalog No: AG00094Y MDL No:
Product Description
Catalog Number:
AG00094Y
Chemical Name:
1H-Indole, 1-methyl-3-(1-methylethyl)-2-(2-methylpropyl)-
CAS Number:
113606-74-9
Molecular Formula:
C16H23N
Molecular Weight:
229.3605
IUPAC Name:
1-methyl-2-(2-methylpropyl)-3-propan-2-ylindole
InChI:
InChI=1S/C16H23N/c1-11(2)10-15-16(12(3)4)13-8-6-7-9-14(13)17(15)5/h6-9,11-12H,10H2,1-5H3
InChI Key:
PFPWVCNDJGOJMH-UHFFFAOYSA-N
SMILES:
CC(Cc1c(C(C)C)c2c(n1C)cccc2)C
Properties
Complexity:
246
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:
3
Topological Polar Surface Area:
4.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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