Vigabatrin
C6H11NO2
68506-86-5 Copyright (C) 2024 ACS
  9  8  0  0  0  0  0  0  0  0999 V2000
    5.3348    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6686    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    3.8500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0022    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3100    0.0000 O   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
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
M  END
> <cas.rn>
68506-86-5

> <cas.index.name>
5-Hexenoic acid, 4-amino-

> <molecular.formula>
C6H11NO2

> <molecular.weight>
129.16

> <melting.point.experimental>
209 °C

> <boiling.point.predicted>
277.701±28.00 °C    Press: 760.00 Torr

> <density.predicted>
1.064±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
4.362±0.10    Most Acidic Temp: 25 °C

$$$$
