1-[(1-Oxopropoxy)methyl]-1H-pyrrole-2,5-dione
C8H9NO4
72835-26-8 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  13 13 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 3.7711 3.3320 0.0 0
M  V30 2 O 5.1048 2.5620 0.0 0
M  V30 3 C 6.4386 3.3320 0.0 0
M  V30 4 C 7.7722 2.5620 0.0 0
M  V30 5 O 6.4386 4.8721 0.0 0
M  V30 6 C 9.1059 3.3320 0.0 0
M  V30 7 O 0.7103 4.6948 0.0 0
M  V30 8 O 3.4209 0.0000 0.0 0
M  V30 9 N 2.4374 2.5620 0.0 0
M  V30 10 C 1.0304 3.1885 0.0 0
M  V30 11 C 2.2763 1.0304 0.0 0
M  V30 12 C 0.0000 2.0439 0.0 0
M  V30 13 C 0.7700 0.7103 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 9
M  V30 3 1 2 3
M  V30 4 1 3 4
M  V30 5 2 3 5
M  V30 6 1 4 6
M  V30 7 2 7 10
M  V30 8 2 8 11
M  V30 9 1 9 10
M  V30 10 1 9 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 2 12 13
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
72835-26-8

> <cas.index.name>
1H-Pyrrole-2,5-dione, 1-[(1-oxopropoxy)methyl]-

> <molecular.formula>
C8H9NO4

> <molecular.weight>
183.16

> <melting.point.experimental>
44 °C

> <boiling.point.predicted>
298.2±23.0 °C    Press: 760 Torr

> <density.predicted>
1.307±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
-2.79±0.20    Most Basic Temp: 25 °C

$$$$
