3a,4,5,9b-Tetrahydro-8-nitro-4-phenyl-3H-cyclopenta[c]quinoline
C18H16N2O2
353495-21-3 Copyright (C) 2024 ACS
 22 25  0  0  0  0  0  0  0  0999 V2000
    0.7700    5.0372    0.0000 N   0  0  0  0  0  5  0  0  0  0  0  0
    0.0000    6.3710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    3.7035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3900    2.3699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3900    5.0372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800    3.7035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300    2.3699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9141    0.9052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300    5.0372    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    6.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    5.0372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    3.7035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4059    0.9052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1600    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800    6.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2400    3.7035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0100    5.0372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0100    2.3699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5500    5.0372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5500    2.3699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3200    3.7035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1 12  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  2  0  0  0  0
 10 13  1  0  0  0  0
 11 16  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
> <cas.rn>
353495-21-3

> <cas.index.name>
3H-Cyclopenta[c]quinoline, 3a,4,5,9b-tetrahydro-8-nitro-4-phenyl-

> <molecular.formula>
C18H16N2O2

> <molecular.weight>
292.33

> <boiling.point.predicted>
454.297±45.00 °C    Press: 760.00 Torr

> <density.predicted>
1.239±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
0.258±0.40    Most Basic Temp: 25 °C

$$$$
