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Home > Indoles and Oxindole > 142868-06-2
142868-06-2 | 1H-Isoindolium, 3-ethoxy-2-ethyl-1-oxo-
CAS No: 142868-06-2 Catalog No: AG007Z8U MDL No:
Product Description
Catalog Number:
AG007Z8U
Chemical Name:
1H-Isoindolium, 3-ethoxy-2-ethyl-1-oxo-
CAS Number:
142868-06-2
Molecular Formula:
C12H14NO2+
Molecular Weight:
204.2451
IUPAC Name:
3-ethoxy-2-ethylisoindol-2-ium-1-one
InChI:
InChI=1S/C12H14NO2/c1-3-13-11(14)9-7-5-6-8-10(9)12(13)15-4-2/h5-8H,3-4H2,1-2H3/q+1
InChI Key:
YMDZYRNBGBDXMC-UHFFFAOYSA-N
SMILES:
CCOC1=[N+](CC)C(=O)c2c1cccc2
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.102g/mol
Formal Charge:
1
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.249g/mol
Monoisotopic Mass:
204.102g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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