(1E,3E)-1-(4-Fluorophenyl)-2-methyl-1-penten-3-one oxime
C12H14FNO
1170613-55-4 Copyright (C) 2024 ACS
 15 15  0  0  0  0  0  0  0  0999 V2000
    4.6201    1.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8501    2.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3101    2.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6201    4.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5400    1.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5400    4.0010    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7802    1.3337    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.1601    1.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9302    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9302    2.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    2.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2402    1.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 10  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  9 15  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
> <cas.rn>
1170613-55-4

> <cas.index.name>
1-Penten-3-one, 1-(4-fluorophenyl)-2-methyl-, oxime, (1E,3E)-

> <molecular.formula>
C12H14FNO

> <molecular.weight>
207.24

> <boiling.point.predicted>
324.354±34.00 °C    Press: 760.00 Torr

> <density.predicted>
1.034±0.14 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
12.226±0.28    Most Acidic Temp: 25 °C

$$$$
