7-[[[4-(4-Pyridinylmethyl)phenyl]amino]carbonyl]tricyclo[3.2.2.02,4]non-8-ene...
C23H22N2O3
1005178-02-8 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  28 32 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 5.1382 4.9574 0.0 0
M  V30 2 N 6.4718 4.1874 0.0 0
M  V30 3 O 5.1382 6.4974 0.0 0
M  V30 4 C 1.8342 5.1185 0.0 0
M  V30 5 O 2.5423 6.4860 0.0 0
M  V30 6 O 0.2958 5.0479 0.0 0
M  V30 7 C 11.8067 7.2674 0.0 0
M  V30 8 C 3.0342 1.5393 0.0 0
M  V30 9 C 1.7241 0.7297 0.0 0
M  V30 10 C 2.5869 3.0835 0.0 0
M  V30 11 C 3.0802 0.0000 0.0 0
M  V30 12 C 1.3660 2.4069 0.0 0
M  V30 13 C 3.8045 4.1874 0.0 0
M  V30 14 C 1.2531 3.7338 0.0 0
M  V30 15 C 2.6646 3.8214 0.0 0
M  V30 16 C 0.0000 3.0539 0.0 0
M  V30 17 C 7.8057 4.9574 0.0 0
M  V30 18 C 7.8057 6.4974 0.0 0
M  V30 19 C 9.1393 4.1874 0.0 0
M  V30 20 C 9.1393 7.2674 0.0 0
M  V30 21 C 10.4730 4.9574 0.0 0
M  V30 22 C 10.4730 6.4974 0.0 0
M  V30 23 C 13.1405 6.4974 0.0 0
M  V30 24 C 13.1405 4.9574 0.0 0
M  V30 25 C 14.4742 7.2674 0.0 0
M  V30 26 C 14.4742 4.1874 0.0 0
M  V30 27 C 15.8078 6.4974 0.0 0
M  V30 28 N 15.8078 4.9574 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 1 3
M  V30 3 1 1 13
M  V30 4 1 2 17
M  V30 5 1 4 5
M  V30 6 2 4 6
M  V30 7 1 4 15
M  V30 8 1 7 22
M  V30 9 1 7 23
M  V30 10 1 8 9
M  V30 11 1 8 10
M  V30 12 1 8 11
M  V30 13 1 9 11
M  V30 14 1 9 12
M  V30 15 1 10 13
M  V30 16 1 10 14
M  V30 17 1 12 15
M  V30 18 1 12 16
M  V30 19 1 13 15
M  V30 20 2 14 16
M  V30 21 2 17 18
M  V30 22 1 17 19
M  V30 23 1 18 20
M  V30 24 2 19 21
M  V30 25 2 20 22
M  V30 26 1 21 22
M  V30 27 1 23 24
M  V30 28 2 23 25
M  V30 29 2 24 26
M  V30 30 1 25 27
M  V30 31 1 26 28
M  V30 32 2 27 28
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
1005178-02-8

> <cas.index.name>
Tricyclo[3.2.2.02,4]non-8-ene-6-carboxylic acid, 7-[[[4-(4-pyridinylmethyl)phenyl]amino]carbonyl]-

> <molecular.formula>
C23H22N2O3

> <molecular.weight>
374.43

> <boiling.point.predicted>
656.5±55.0 °C    Press: 760 Torr

> <density.predicted>
1.344±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
4.22±0.40    Most Acidic Temp: 25 °C

$$$$
