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Home > Indoles and Oxindole > 100161-86-2
100161-86-2 | 1H-Indole, 2-ethyl-2,3-dihydro-2,5-dimethyl-
CAS No: 100161-86-2 Catalog No: AG00014W MDL No:
Product Description
Catalog Number:
AG00014W
Chemical Name:
1H-Indole, 2-ethyl-2,3-dihydro-2,5-dimethyl-
CAS Number:
100161-86-2
Molecular Formula:
C12H17N
Molecular Weight:
175.2701
IUPAC Name:
2-ethyl-2,5-dimethyl-1,3-dihydroindole
InChI:
InChI=1S/C12H17N/c1-4-12(3)8-10-7-9(2)5-6-11(10)13-12/h5-7,13H,4,8H2,1-3H3
InChI Key:
XQDZWORWISDEMY-UHFFFAOYSA-N
SMILES:
CCC1(C)Cc2c(N1)ccc(c2)C
Properties
Complexity:
190
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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