5-Methyl-4-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-1,3-benze...
C17H22O2
317321-41-8 Copyright (C) 2025 ACS
 19 20  0  0  1  0  0  0  0  0999 V2000
    6.8284    2.5130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1610    7.1330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4472    5.1771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7145    6.6937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5794    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4957    7.1330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4946    4.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8284    4.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4946    6.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1621    4.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8284    7.1330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1621    6.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1610    4.0530    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6268    4.1871    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8118    2.6573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7435    2.9257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9286    1.3957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3944    1.5300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
 15  3  1  1  0  0  0
  6 18  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 14  8  1  6  0  0  0
  9 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  2  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
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 15 17  1  0  0  0  0
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 17 19  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
> <cas.rn>
317321-41-8

> <cas.index.name>
1,3-Benzenediol, 5-methyl-4-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-

> <molecular.formula>
C17H22O2

> <molecular.weight>
258.36

> <boiling.point.predicted>
401.645±45.00 °C    Press: 760.00 Torr

> <density.predicted>
1.074±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
9.920±0.45    Most Acidic Temp: 25 °C

$$$$
