Okanin
C15H12O6
484-76-4 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  21 22 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 5.3348 1.5400 0.0 0
M  V30 2 C 6.6685 2.3101 0.0 0
M  V30 3 O 5.3348 0.0000 0.0 0
M  V30 4 C 8.0022 1.5400 0.0 0
M  V30 5 O 2.6673 0.0000 0.0 0
M  V30 6 O 0.0000 1.5400 0.0 0
M  V30 7 O 0.0000 4.6201 0.0 0
M  V30 8 O 13.3370 1.5400 0.0 0
M  V30 9 O 13.3370 4.6201 0.0 0
M  V30 10 C 4.0010 2.3101 0.0 0
M  V30 11 C 2.6673 1.5400 0.0 0
M  V30 12 C 4.0010 3.8501 0.0 0
M  V30 13 C 1.3337 2.3101 0.0 0
M  V30 14 C 2.6673 4.6201 0.0 0
M  V30 15 C 1.3337 3.8501 0.0 0
M  V30 16 C 9.3360 2.3101 0.0 0
M  V30 17 C 10.6697 1.5400 0.0 0
M  V30 18 C 9.3360 3.8501 0.0 0
M  V30 19 C 12.0033 2.3101 0.0 0
M  V30 20 C 10.6697 4.6201 0.0 0
M  V30 21 C 12.0033 3.8501 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 1 3
M  V30 3 1 1 10
M  V30 4 2 2 4
M  V30 5 1 4 16
M  V30 6 1 5 11
M  V30 7 1 6 13
M  V30 8 1 7 15
M  V30 9 1 8 19
M  V30 10 1 9 21
M  V30 11 2 10 11
M  V30 12 1 10 12
M  V30 13 1 11 13
M  V30 14 2 12 14
M  V30 15 2 13 15
M  V30 16 1 14 15
M  V30 17 2 16 17
M  V30 18 1 16 18
M  V30 19 1 17 19
M  V30 20 2 18 20
M  V30 21 2 19 21
M  V30 22 1 20 21
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
484-76-4

> <cas.index.name>
2-Propen-1-one, 3-(3,4-dihydroxyphenyl)-1-(2,3,4-trihydroxyphenyl)-, (2E)-

> <molecular.formula>
C15H12O6

> <molecular.weight>
288.25

> <melting.point.experimental>
235-242 °C

> <boiling.point.predicted>
638.0±55.0 °C    Press: 760 Torr

> <density.predicted>
1.584±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
7.22±0.40    Most Acidic Temp: 25 °C

$$$$
