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Home > Indoles and Oxindole > 2060047-54-1
2060047-54-1 | 3-ethyl-3,7-dimethyl-3H-indole
CAS No: 2060047-54-1 Catalog No: AG01BP5E MDL No:MFCD30499887
Product Description
Catalog Number:
AG01BP5E
Chemical Name:
3-ethyl-3,7-dimethyl-3H-indole
CAS Number:
2060047-54-1
Molecular Formula:
C12H15N
Molecular Weight:
173.2542
MDL Number:
MFCD30499887
IUPAC Name:
3-ethyl-3,7-dimethylindole
InChI:
InChI=1S/C12H15N/c1-4-12(3)8-13-11-9(2)6-5-7-10(11)12/h5-8H,4H2,1-3H3
InChI Key:
RJMHANCRODRUKK-UHFFFAOYSA-N
SMILES:
CCC1(C)C=Nc2c1cccc2C
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.12g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.259g/mol
Monoisotopic Mass:
173.12g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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