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Home > Indoles and Oxindole > 65826-97-3
65826-97-3 | 1H-Indole, 5-(1,1-dimethylethyl)-2,3-dihydro-
CAS No: 65826-97-3 Catalog No: AG006O6V MDL No:MFCD09728378
Product Description
Catalog Number:
AG006O6V
Chemical Name:
1H-Indole, 5-(1,1-dimethylethyl)-2,3-dihydro-
CAS Number:
65826-97-3
Molecular Formula:
C12H17N
Molecular Weight:
175.2701
MDL Number:
MFCD09728378
IUPAC Name:
5-tert-butyl-2,3-dihydro-1H-indole
InChI:
InChI=1S/C12H17N/c1-12(2,3)10-4-5-11-9(8-10)6-7-13-11/h4-5,8,13H,6-7H2,1-3H3
InChI Key:
DCWWFXGCBMZVFC-UHFFFAOYSA-N
SMILES:
CC(c1ccc2c(c1)CCN2)(C)C
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.136g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.275g/mol
Monoisotopic Mass:
175.136g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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