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Home > Indoles and Oxindole > 1388071-97-3
1388071-97-3 | 3-ETHYL-3,5-DIMETHYL-2,3-DIHYDRO-1H-INDOLE
CAS No: 1388071-97-3 Catalog No: AG01BP6Q MDL No:MFCD22561499
Product Description
Catalog Number:
AG01BP6Q
Chemical Name:
3-ETHYL-3,5-DIMETHYL-2,3-DIHYDRO-1H-INDOLE
CAS Number:
1388071-97-3
Molecular Formula:
C12H17N
Molecular Weight:
175.2701
MDL Number:
MFCD22561499
IUPAC Name:
3-ethyl-3,5-dimethyl-1,2-dihydroindole
InChI:
InChI=1S/C12H17N/c1-4-12(3)8-13-11-6-5-9(2)7-10(11)12/h5-7,13H,4,8H2,1-3H3
InChI Key:
RQQDXLHLDCCUOL-UHFFFAOYSA-N
SMILES:
CCC1(C)CNc2c1cc(C)cc2
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:
3.5
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