2-[[(2R)-6,7-Dichloro-2-cyclopentyl-2,3-dihydro-2-methyl-1-oxo-1H-inden-5-yl]...
C17H18Cl2O4
54197-31-8 Copyright (C) 2025 ACS
 23 25  0  0  1  0  0  0  0  0999 V2000
    3.8500    8.1006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1242    8.4700    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2763    6.4204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7916    6.9300    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.7916    3.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7916    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1253    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1253    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4589    2.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7906    6.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7906    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3259    6.6359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1242    6.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3259    4.1441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1242    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4208    5.3900    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4580    6.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4580    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2763    4.3596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4372    2.8279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    4.6798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0304    2.2016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2 13  1  0  0  0  0
 16  3  1  1  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  6  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
> <cas.rn>
54197-31-8

> <cas.index.name>
Acetic acid, 2-[[(2R)-6,7-dichloro-2-cyclopentyl-2,3-dihydro-2-methyl-1-oxo-1H-inden-5-yl]oxy]-

> <molecular.formula>
C17H18Cl2O4

> <molecular.weight>
357.23

> <boiling.point.predicted>
537.242±50.00 °C    Press: 760.00 Torr

> <density.predicted>
1.402±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
2.798±0.10    Most Acidic Temp: 25 °C

$$$$
