2-Propenoic acid, 3-[4-hydroxy-3-(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-...
C24H28O3
196961-43-0 Copyright (C) 2024 ACS
 27 29  0  0  0  0  0  0  0  0999 V2000
    2.7196    9.5187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4341    8.5288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7145    3.8181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0670    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6070    8.0021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6870    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2270    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9970    1.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5370    1.3336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2270    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7570    6.6684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9870    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2970    6.6684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9870    8.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7570    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4470    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0670    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4470    8.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2970    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6770    6.6684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6070    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3770    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3770    6.6684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9170    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9170    6.6684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6870    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  2 15  1  0  0  0  0
  3 17  1  0  0  0  0
  4 17  1  0  0  0  0
  5 20  1  0  0  0  0
  6 24  1  0  0  0  0
  7  8  2  3  0  0  0
  7 25  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
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 13 16  2  0  0  0  0
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 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 20  2  0  0  0  0
 18 22  1  0  0  0  0
 19 21  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
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 26 27  1  0  0  0  0
M  END
> <cas.rn>
196961-43-0

> <cas.index.name>
2-Propenoic acid, 3-[4-hydroxy-3-(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)phenyl]-

> <molecular.formula>
C24H28O3

> <molecular.weight>
364.48

> <melting.point.experimental>
275 °C    Solvent: Hexane; Ethyl acetate

> <boiling.point.predicted>
507.958±50.00 °C    Press: 760.00 Torr

> <density.predicted>
1.109±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
4.611±0.10    Most Acidic Temp: 25 °C

$$$$
