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Home > Indoles and Oxindole > 80603-06-1
80603-06-1 | 1H-Indole, 2-(1,1-dimethylethyl)-3-methyl-
CAS No: 80603-06-1 Catalog No: AG0058Y8 MDL No:
Product Description
Catalog Number:
AG0058Y8
Chemical Name:
1H-Indole, 2-(1,1-dimethylethyl)-3-methyl-
CAS Number:
80603-06-1
Molecular Formula:
C13H17N
Molecular Weight:
187.2808
IUPAC Name:
2-tert-butyl-3-methyl-1H-indole
InChI:
InChI=1S/C13H17N/c1-9-10-7-5-6-8-11(10)14-12(9)13(2,3)4/h5-8,14H,1-4H3
InChI Key:
HEBXIBZQLTVDFW-UHFFFAOYSA-N
SMILES:
Cc1c2ccccc2[nH]c1C(C)(C)C
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.136g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.286g/mol
Monoisotopic Mass:
187.136g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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