4-[2-[5,6-Dihydro-5,5-dimethyl-8-(4-methylphenyl)-2-naphthalenyl]ethynyl]benz...
C28H24O2
171746-21-7 Copyright (C) 2025 ACS
 30 33  0  0  0  0  0  0  0  0999 V2000
    0.0000    8.5288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7145    9.5187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6070    8.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.3070    8.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0770    6.6684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0770    9.3358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.9970    6.6684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2 15  1  0  0  0  0
  3  4  3  0  0  0  0
  3 17  1  0  0  0  0
  4 25  1  0  0  0  0
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  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6 30  1  0  0  0  0
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M  END
> <cas.rn>
171746-21-7

> <ca.index.name>
Benzoic acid, 4-[2-[5,6-dihydro-5,5-dimethyl-8-(4-methylphenyl)-2-naphthalenyl]ethynyl]-

> <molecular.formula>
C28H24O2

> <smiles.canonical>
O=C(O)C1=CC=C(C#CC=2C=CC3=C(C2)C(=CCC3(C)C)C=4C=CC(=CC4)C)C=C1

> <molecular.weight>
392.49

> <boiling.point.predicted>
564.455±50.00 °C    Press: 760.00 Torr

> <density.predicted>
1.215±0.10 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
4.081±0.10    Most Acidic Temp: 25 °C

$$$$
