NSC 2805
C14H14O4
4371-34-0 Copyright (C) 2024 ACS
 18 19  0  0  0  0  0  0  0  0999 V2000
    4.6200    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1600    5.3349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5400    5.3349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2400    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7800    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500    1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5400    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1600    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300    1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4700    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4700    1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2400    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  2 14  1  0  0  0  0
  3 11  1  0  0  0  0
  4 17  1  0  0  0  0
  5 12  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 13  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  2  0  0  0  0
 11 12  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
> <cas.rn>
4371-34-0

> <cas.index.name>
[1,1′-Biphenyl]-2,2′,5,5′-tetrol, 4,4′-dimethyl-

> <molecular.formula>
C14H14O4

> <molecular.weight>
246.26

> <melting.point.experimental>
170-172 °C    Solvent: Ethanol

> <boiling.point.predicted>
501.613±50.00 °C    Press: 760.00 Torr

> <density.predicted>
1.361±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
9.920±0.50    Most Acidic Temp: 25 °C

$$$$
