(2S)-2-Amino-4-pentenoic acid
C5H9NO2
16338-48-0 Copyright (C) 2024 ACS
  8  7  0  0  1  0  0  0  0  0999 V2000
    2.6673    3.8501    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6673    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    4.6201    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    6.1601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    0.0000    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
  1  4  1  1  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  5  8  2  0  0  0  0
M  END
> <cas.rn>
16338-48-0

> <cas.index.name>
4-Pentenoic acid, 2-amino-, (2S)-

> <molecular.formula>
C5H9NO2

> <molecular.weight>
115.13

> <melting.point.experimental>
>275 °C (decomp)

> <boiling.point.predicted>
230.950±33.00 °C    Press: 760.00 Torr

> <density.predicted>
1.098±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
2.222±0.10    Most Acidic Temp: 25 °C

$$$$
