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Home > Indoles and Oxindole > 130546-01-9
130546-01-9 | 1H-Indole, 3,3-diethyl-2,3-dihydro-
CAS No: 130546-01-9 Catalog No: AG000UMO MDL No:MFCD19381974
Product Description
Catalog Number:
AG000UMO
Chemical Name:
1H-Indole, 3,3-diethyl-2,3-dihydro-
CAS Number:
130546-01-9
Molecular Formula:
C12H17N
Molecular Weight:
175.2701
MDL Number:
MFCD19381974
IUPAC Name:
3,3-diethyl-1,2-dihydroindole
InChI:
InChI=1S/C12H17N/c1-3-12(4-2)9-13-11-8-6-5-7-10(11)12/h5-8,13H,3-4,9H2,1-2H3
InChI Key:
VSAJILQTDDOIET-UHFFFAOYSA-N
SMILES:
CCC1(CC)CNc2c1cccc2
Properties
Complexity:
172
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:
2
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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