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Home > Indoles and Oxindole > 204206-21-3
204206-21-3 | 1H-Indole, 2-ethyl-3-propyl-
CAS No: 204206-21-3 Catalog No: AG0029CA MDL No:
Product Description
Catalog Number:
AG0029CA
Chemical Name:
1H-Indole, 2-ethyl-3-propyl-
CAS Number:
204206-21-3
Molecular Formula:
C13H17N
Molecular Weight:
187.2808
IUPAC Name:
2-ethyl-3-propyl-1H-indole
InChI:
InChI=1S/C13H17N/c1-3-7-10-11-8-5-6-9-13(11)14-12(10)4-2/h5-6,8-9,14H,3-4,7H2,1-2H3
InChI Key:
JHZBMACTRVXOOB-UHFFFAOYSA-N
SMILES:
CCCc1c(CC)[nH]c2c1cccc2
Properties
Complexity:
178
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:
3
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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