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Home > Indoles and Oxindole > 1225503-87-6
1225503-87-6 | 5-ETHYL-3,3-DIMETHYL-2,3-DIHYDRO-1H-INDOL-2-ONE
CAS No: 1225503-87-6 Catalog No: AG01BUI8 MDL No:MFCD16302922
Product Description
Catalog Number:
AG01BUI8
Chemical Name:
5-ETHYL-3,3-DIMETHYL-2,3-DIHYDRO-1H-INDOL-2-ONE
CAS Number:
1225503-87-6
Molecular Formula:
C12H15NO
Molecular Weight:
189.2536
MDL Number:
MFCD16302922
IUPAC Name:
5-ethyl-3,3-dimethyl-1H-indol-2-one
InChI:
InChI=1S/C12H15NO/c1-4-8-5-6-10-9(7-8)12(2,3)11(14)13-10/h5-7H,4H2,1-3H3,(H,13,14)
InChI Key:
GGVKKZAHMSGJKX-UHFFFAOYSA-N
SMILES:
CCc1ccc2c(c1)C(C)(C)C(=O)N2
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.115g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.258g/mol
Monoisotopic Mass:
189.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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