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Home > Indoles and Oxindole > 854902-99-1
854902-99-1 | 3,7-diethyl-1H-indole
CAS No: 854902-99-1 Catalog No: AG01BIBU MDL No:MFCD20689689
Product Description
Catalog Number:
AG01BIBU
Chemical Name:
3,7-diethyl-1H-indole
CAS Number:
854902-99-1
Molecular Formula:
C12H15N
Molecular Weight:
173.2542
MDL Number:
MFCD20689689
IUPAC Name:
3,7-diethyl-1H-indole
InChI:
InChI=1S/C12H15N/c1-3-9-6-5-7-11-10(4-2)8-13-12(9)11/h5-8,13H,3-4H2,1-2H3
InChI Key:
NZZJIOQQUBCWLY-UHFFFAOYSA-N
SMILES:
CCc1c[nH]c2c1cccc2CC
Properties
Complexity:
167
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:
0
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
173.259g/mol
Monoisotopic Mass:
173.12g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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