11,14-Eicosadienoic acid
C20H36O2
2091-39-6 Copyright (C) 2024 ACS
 22 21  0  0  0  0  0  0  0  0999 V2000
   10.6698    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0035    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3360    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3372    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0023    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6708    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6687    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0046    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3383    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0012    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6720    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0057    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3338    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3395    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3338    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.6731    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0068    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3405    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6743    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  2  3  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  2  3  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
> <cas.rn>
2091-39-6

> <cas.index.name>
11,14-Eicosadienoic acid

> <molecular.formula>
C20H36O2

> <molecular.weight>
308.50

> <boiling.point.experimental>
198 °C    Press: 0.08 Torr

> <density.predicted>
0.906±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
4.779±0.10    Most Acidic Temp: 25 °C

$$$$
