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Home > Indoles and Oxindole > 857229-43-7
857229-43-7 | 2,2-DIETHYL-2,3-DIHYDRO-1H-INDOL-3-ONE
CAS No: 857229-43-7 Catalog No: AG01BOFM MDL No:MFCD24557296
Product Description
Catalog Number:
AG01BOFM
Chemical Name:
2,2-DIETHYL-2,3-DIHYDRO-1H-INDOL-3-ONE
CAS Number:
857229-43-7
Molecular Formula:
C12H15NO
Molecular Weight:
189.2536
MDL Number:
MFCD24557296
IUPAC Name:
2,2-diethyl-1H-indol-3-one
InChI:
InChI=1S/C12H15NO/c1-3-12(4-2)11(14)9-7-5-6-8-10(9)13-12/h5-8,13H,3-4H2,1-2H3
InChI Key:
QYEBZRUPGOLAOM-UHFFFAOYSA-N
SMILES:
CCC1(CC)Nc2c(C1=O)cccc2
Properties
Complexity:
233
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:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.258g/mol
Monoisotopic Mass:
189.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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