Ethotoin
C11H12N2O2
86-35-1 Copyright (C) 2023 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  15 16 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 5.0494 0.0000 0.0 0
M  V30 2 C 8.2358 1.0353 0.0 0
M  V30 3 C 9.6426 1.6617 0.0 0
M  V30 4 O 8.2358 4.3856 0.0 0
M  V30 5 C 4.6200 2.7104 0.0 0
M  V30 6 C 5.5252 1.4645 0.0 0
M  V30 7 N 5.5252 3.9564 0.0 0
M  V30 8 N 6.9898 1.9404 0.0 0
M  V30 9 C 6.9898 3.4804 0.0 0
M  V30 10 C 3.0800 2.7104 0.0 0
M  V30 11 C 2.3100 1.3768 0.0 0
M  V30 12 C 2.3100 4.0442 0.0 0
M  V30 13 C 0.7700 1.3768 0.0 0
M  V30 14 C 0.7700 4.0442 0.0 0
M  V30 15 C 0.0000 2.7104 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 6
M  V30 2 1 2 3
M  V30 3 1 2 8
M  V30 4 2 4 9
M  V30 5 1 5 6
M  V30 6 1 5 7
M  V30 7 1 5 10
M  V30 8 1 6 8
M  V30 9 1 7 9
M  V30 10 1 8 9
M  V30 11 2 10 11
M  V30 12 1 10 12
M  V30 13 1 11 13
M  V30 14 2 12 14
M  V30 15 2 13 15
M  V30 16 1 14 15
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
86-35-1

> <cas.index.name>
2,4-Imidazolidinedione, 3-ethyl-5-phenyl-

> <molecular.formula>
C11H12N2O2

> <molecular.weight>
204.23

> <melting.point.experimental>
94 °C

> <density.predicted>
1.197±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
8.01±0.70    Most Acidic Temp: 25 °C

$$$$
