Eleutherol
C14H12O4
480-00-2 Copyright (C) 2024 ACS
 18 20  0  0  1  0  0  0  0  0999 V2000
    5.7307    1.3172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0407    2.6508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5808    2.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7104    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7307    3.9845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9607    5.3183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9607    2.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2707    3.9845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4207    5.3183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7307    6.6519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4207    2.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0407    5.3183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6507    3.9845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2707    6.6519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3903    1.5064    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1444    3.6643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9835    2.1328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
 16  4  1  1  0  0  0
  5 17  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 14  1  0  0  0  0
 12 16  1  0  0  0  0
 13 15  2  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
> <cas.rn>
480-00-2

> <cas.index.name>
Naphtho[2,3-c]furan-1(3H)-one, 4-hydroxy-5-methoxy-3-methyl-, (3R)-

> <molecular.formula>
C14H12O4

> <molecular.weight>
244.24

> <melting.point.experimental>
190 °C

> <boiling.point.predicted>
421.850±45.00 °C    Press: 760.00 Torr

> <density.predicted>
1.338±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
7.556±0.40    Most Acidic Temp: 25 °C

$$$$
