Hispidin
C13H10O5
555-55-5 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  18 19 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 5.3348 3.8501 0.0 0
M  V30 2 C 6.6685 4.6201 0.0 0
M  V30 3 O 0.0000 3.8501 0.0 0
M  V30 4 O 0.0000 6.9302 0.0 0
M  V30 5 O 9.3360 0.0000 0.0 0
M  V30 6 O 12.0033 4.6201 0.0 0
M  V30 7 C 4.0012 4.6201 0.0 0
M  V30 8 C 2.6673 3.8501 0.0 0
M  V30 9 C 4.0012 6.1601 0.0 0
M  V30 10 C 1.3337 4.6201 0.0 0
M  V30 11 C 2.6673 6.9302 0.0 0
M  V30 12 C 1.3337 6.1601 0.0 0
M  V30 13 C 8.0022 3.8501 0.0 0
M  V30 14 C 8.0022 2.3101 0.0 0
M  V30 15 O 9.3360 4.6201 0.0 0
M  V30 16 C 9.3360 1.5400 0.0 0
M  V30 17 C 10.6697 3.8501 0.0 0
M  V30 18 C 10.6697 2.3101 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 1 7
M  V30 3 1 2 13
M  V30 4 1 3 10
M  V30 5 1 4 12
M  V30 6 1 5 16
M  V30 7 2 6 17
M  V30 8 2 7 8
M  V30 9 1 7 9
M  V30 10 1 8 10
M  V30 11 2 9 11
M  V30 12 2 10 12
M  V30 13 1 11 12
M  V30 14 2 13 14
M  V30 15 1 13 15
M  V30 16 1 14 16
M  V30 17 1 15 17
M  V30 18 2 16 18
M  V30 19 1 17 18
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
555-55-5

> <cas.index.name>
2H-Pyran-2-one, 6-[(1E)-2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxy-

> <molecular.formula>
C13H10O5

> <molecular.weight>
246.22

> <melting.point.experimental>
312-315 °C

> <boiling.point.predicted>
500.5±50.0 °C    Press: 760 Torr

> <density.predicted>
1.657±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
4.90±0.30    Most Acidic Temp: 25 °C

$$$$
