3,3-Diethyl-4-(phenylmethoxy)-2H-benz[g]indole-2,5(3H)-dione
C23H21NO3
2642218-43-5 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  27 30 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 6.5028 3.2938 0.0 0
M  V30 2 C 7.7487 2.3885 0.0 0
M  V30 3 C 5.8659 1.3336 0.0 0
M  V30 4 C 5.0959 0.0000 0.0 0
M  V30 5 O 6.9300 5.4656 0.0 0
M  V30 6 C 7.7000 6.7994 0.0 0
M  V30 7 O 3.8500 0.2222 0.0 0
M  V30 8 O 5.3900 8.1330 0.0 0
M  V30 9 C 4.6200 4.1320 0.0 0
M  V30 10 C 5.0959 2.6674 0.0 0
M  V30 11 C 3.0800 4.1320 0.0 0
M  V30 12 C 5.3900 5.4656 0.0 0
M  V30 13 C 3.8500 1.7622 0.0 0
M  V30 14 C 2.3100 5.4656 0.0 0
M  V30 15 N 2.6041 2.6674 0.0 0
M  V30 16 C 4.6200 6.7994 0.0 0
M  V30 17 C 3.0800 6.7994 0.0 0
M  V30 18 C 0.7700 5.4656 0.0 0
M  V30 19 C 2.3100 8.1330 0.0 0
M  V30 20 C 0.0000 6.7994 0.0 0
M  V30 21 C 0.7700 8.1330 0.0 0
M  V30 22 C 9.2400 6.7994 0.0 0
M  V30 23 C 10.0100 5.4656 0.0 0
M  V30 24 C 10.0100 8.1330 0.0 0
M  V30 25 C 11.5500 5.4656 0.0 0
M  V30 26 C 11.5500 8.1330 0.0 0
M  V30 27 C 12.3200 6.7994 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 10
M  V30 3 1 3 4
M  V30 4 1 3 10
M  V30 5 1 5 6
M  V30 6 1 5 12
M  V30 7 1 6 22
M  V30 8 2 7 13
M  V30 9 2 8 16
M  V30 10 1 9 10
M  V30 11 1 9 11
M  V30 12 2 9 12
M  V30 13 1 10 13
M  V30 14 1 11 14
M  V30 15 2 11 15
M  V30 16 1 12 16
M  V30 17 1 13 15
M  V30 18 1 14 17
M  V30 19 2 14 18
M  V30 20 1 16 17
M  V30 21 2 17 19
M  V30 22 1 18 20
M  V30 23 1 19 21
M  V30 24 2 20 21
M  V30 25 2 22 23
M  V30 26 1 22 24
M  V30 27 1 23 25
M  V30 28 2 24 26
M  V30 29 2 25 27
M  V30 30 1 26 27
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
2642218-43-5

> <cas.index.name>
2H-Benz[g]indole-2,5(3H)-dione, 3,3-diethyl-4-(phenylmethoxy)-

> <molecular.formula>
C23H21NO3

> <molecular.weight>
359.42

> <boiling.point.predicted>
532.4±60.0 °C    Press: 760 Torr

> <density.predicted>
1.20±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
-2.28±0.40    Most Basic Temp: 25 °C

$$$$
