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Home > Indoles and Oxindole > 98609-09-7
98609-09-7 | 1H-Indole, 2-ethyl-3,5,7-trimethyl-
CAS No: 98609-09-7 Catalog No: AG005UE8 MDL No:
Product Description
Catalog Number:
AG005UE8
Chemical Name:
1H-Indole, 2-ethyl-3,5,7-trimethyl-
CAS Number:
98609-09-7
Molecular Formula:
C13H17N
Molecular Weight:
187.2808
IUPAC Name:
2-ethyl-3,5,7-trimethyl-1H-indole
InChI:
InChI=1S/C13H17N/c1-5-12-10(4)11-7-8(2)6-9(3)13(11)14-12/h6-7,14H,5H2,1-4H3
InChI Key:
NHTIHSPFQUWFDQ-UHFFFAOYSA-N
SMILES:
CCc1[nH]c2c(c1C)cc(cc2C)C
Properties
Complexity:
201
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:
1
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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