4,4a,5,5a,6,6a-Hexahydro-2-[4-(4-pyridinylmethyl)phenyl]-4,6-ethenocycloprop[...
C23H20N2O2
2242470-43-3 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  27 32 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.1186 6.7117 0.0 0
M  V30 2 O 6.1186 1.2905 0.0 0
M  V30 3 C 12.7078 4.0011 0.0 0
M  V30 4 C 4.1780 4.7711 0.0 0
M  V30 5 C 4.1780 3.2311 0.0 0
M  V30 6 C 2.6294 5.2025 0.0 0
M  V30 7 C 5.6426 5.2470 0.0 0
M  V30 8 C 2.5630 3.8081 0.0 0
M  V30 9 C 5.6426 2.7552 0.0 0
M  V30 10 C 1.3749 4.4097 0.0 0
M  V30 11 C 2.3303 6.8185 0.0 0
M  V30 12 N 6.5478 4.0011 0.0 0
M  V30 13 C 1.2945 2.9862 0.0 0
M  V30 14 C 2.0424 5.6563 0.0 0
M  V30 15 C 0.0000 3.7162 0.0 0
M  V30 16 C 8.0878 4.0011 0.0 0
M  V30 17 C 8.8578 2.6674 0.0 0
M  V30 18 C 8.8578 5.3347 0.0 0
M  V30 19 C 10.3978 2.6674 0.0 0
M  V30 20 C 10.3978 5.3347 0.0 0
M  V30 21 C 11.1678 4.0011 0.0 0
M  V30 22 C 13.4778 2.6674 0.0 0
M  V30 23 C 12.7078 1.3338 0.0 0
M  V30 24 C 15.0178 2.6674 0.0 0
M  V30 25 C 13.4778 0.0000 0.0 0
M  V30 26 C 15.7879 1.3338 0.0 0
M  V30 27 N 15.0178 0.0000 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 7
M  V30 2 2 2 9
M  V30 3 1 3 21
M  V30 4 1 3 22
M  V30 5 1 4 5
M  V30 6 1 4 6
M  V30 7 1 4 7
M  V30 8 1 5 8
M  V30 9 1 5 9
M  V30 10 1 6 10
M  V30 11 1 6 11
M  V30 12 1 7 12
M  V30 13 1 8 13
M  V30 14 1 8 14
M  V30 15 1 9 12
M  V30 16 1 10 13
M  V30 17 1 10 15
M  V30 18 2 11 14
M  V30 19 1 12 16
M  V30 20 1 13 15
M  V30 21 2 16 17
M  V30 22 1 16 18
M  V30 23 1 17 19
M  V30 24 2 18 20
M  V30 25 2 19 21
M  V30 26 1 20 21
M  V30 27 1 22 23
M  V30 28 2 22 24
M  V30 29 2 23 25
M  V30 30 1 24 26
M  V30 31 1 25 27
M  V30 32 2 26 27
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
2242470-43-3

> <cas.index.name>
4,6-Ethenocycloprop[f]isoindole-1,3(2H,3aH)-dione, 4,4a,5,5a,6,6a-hexahydro-2-[4-(4-pyridinylmethyl)phenyl]-

> <molecular.formula>
C23H20N2O2

> <molecular.weight>
356.42

> <boiling.point.predicted>
624.2±55.0 °C    Press: 760 Torr

> <density.predicted>
1.319±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
5.80±0.10    Most Basic Temp: 25 °C

$$$$
