4-[(1E)-2-[5,6-Dihydro-5,5-dimethyl-8-(2-phenylethynyl)-2-naphthalenyl]etheny...
C29H24O2
215030-90-3 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  31 34 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 3.8500 5.5177 0.0 0
M  V30 2 C 3.0800 6.8513 0.0 0
M  V30 3 C 7.6071 0.9899 0.0 0
M  V30 4 C 5.8927 0.0000 0.0 0
M  V30 5 C 9.2400 6.8513 0.0 0
M  V30 6 C 10.7800 6.8513 0.0 0
M  V30 7 C 13.8600 12.1860 0.0 0
M  V30 8 O 13.0900 13.5197 0.0 0
M  V30 9 O 15.4000 12.1860 0.0 0
M  V30 10 C 6.1600 4.1839 0.0 0
M  V30 11 C 6.9300 2.8502 0.0 0
M  V30 12 C 4.6200 4.1839 0.0 0
M  V30 13 C 6.9300 5.5177 0.0 0
M  V30 14 C 6.1600 1.5166 0.0 0
M  V30 15 C 8.4700 2.8502 0.0 0
M  V30 16 C 3.8500 2.8502 0.0 0
M  V30 17 C 8.4700 5.5177 0.0 0
M  V30 18 C 4.6200 1.5166 0.0 0
M  V30 19 C 9.2400 4.1839 0.0 0
M  V30 20 C 2.3100 8.1849 0.0 0
M  V30 21 C 3.0800 9.5186 0.0 0
M  V30 22 C 0.7700 8.1849 0.0 0
M  V30 23 C 2.3100 10.8524 0.0 0
M  V30 24 C 0.0000 9.5186 0.0 0
M  V30 25 C 0.7700 10.8524 0.0 0
M  V30 26 C 11.5500 8.1849 0.0 0
M  V30 27 C 10.7800 9.5186 0.0 0
M  V30 28 C 13.0900 8.1849 0.0 0
M  V30 29 C 11.5500 10.8524 0.0 0
M  V30 30 C 13.8600 9.5186 0.0 0
M  V30 31 C 13.0900 10.8524 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 3 1 2
M  V30 2 1 1 12
M  V30 3 1 2 20
M  V30 4 1 3 14
M  V30 5 1 4 14
M  V30 6 2 5 6
M  V30 7 1 5 17
M  V30 8 1 6 26
M  V30 9 1 7 8
M  V30 10 2 7 9
M  V30 11 1 7 31
M  V30 12 1 10 11
M  V30 13 1 10 12
M  V30 14 2 10 13
M  V30 15 1 11 14
M  V30 16 2 11 15
M  V30 17 2 12 16
M  V30 18 1 13 17
M  V30 19 1 14 18
M  V30 20 1 15 19
M  V30 21 1 16 18
M  V30 22 2 17 19
M  V30 23 2 20 21
M  V30 24 1 20 22
M  V30 25 1 21 23
M  V30 26 2 22 24
M  V30 27 2 23 25
M  V30 28 1 24 25
M  V30 29 2 26 27
M  V30 30 1 26 28
M  V30 31 1 27 29
M  V30 32 2 28 30
M  V30 33 2 29 31
M  V30 34 1 30 31
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
215030-90-3

> <cas.index.name>
Benzoic acid, 4-[(1E)-2-[5,6-dihydro-5,5-dimethyl-8-(2-phenylethynyl)-2-naphthalenyl]ethenyl]-

> <molecular.formula>
C29H24O2

> <molecular.weight>
404.50

> <boiling.point.predicted>
605.4±55.0 °C    Press: 760 Torr

> <density.predicted>
1.21±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
4.27±0.10    Most Acidic Temp: 25 °C

$$$$
