Coumestrol
C15H8O5
479-13-0 Copyright (C) 2025 ACS
 20 23  0  0  0  0  0  0  0  0999 V2000
    5.7270    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6570    4.0011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7270    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4970    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2205    2.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4970    1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0370    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4665    5.1456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0596    4.5191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9747    2.0824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0370    1.3338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8070    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8070    5.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6528    5.1456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5679    2.7089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3470    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3470    5.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4069    4.2404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1170    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 10  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 20  2  0  0  0  0
M  END
> <cas.rn>
479-13-0

> <cas.index.name>
6H-Benzofuro[3,2-c][1]benzopyran-6-one, 3,9-dihydroxy-

> <molecular.formula>
C15H8O5

> <molecular.weight>
268.22

> <melting.point.experimental>
385 °C (decomp)

> <boiling.point.predicted>
405.989±24.00 °C    Press: 760.00 Torr

> <density.predicted>
1.602±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

$$$$
