Bromoenol lactone
C16H13BrO2
88070-98-8 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  19 21 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 4.6201 6.6687 0.0 0
M  V30 2 C 9.2402 4.0012 0.0 0
M  V30 3 Br 10.0102 2.6675 0.0 0
M  V30 4 C 3.0801 4.0012 0.0 0
M  V30 5 C 2.3101 2.6675 0.0 0
M  V30 6 C 2.3101 5.3348 0.0 0
M  V30 7 C 0.7700 2.6675 0.0 0
M  V30 8 C 3.0801 1.3338 0.0 0
M  V30 9 C 0.7700 5.3348 0.0 0
M  V30 10 C 0.0000 4.0012 0.0 0
M  V30 11 C 0.0000 1.3338 0.0 0
M  V30 12 C 2.3101 0.0000 0.0 0
M  V30 13 C 0.7700 0.0000 0.0 0
M  V30 14 C 4.6201 4.0012 0.0 0 CFG=3
M  V30 15 C 5.3901 5.3348 0.0 0
M  V30 16 C 5.3901 2.6675 0.0 0
M  V30 17 O 6.9302 5.3348 0.0 0
M  V30 18 C 6.9302 2.6675 0.0 0
M  V30 19 C 7.7002 4.0012 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 15
M  V30 2 1 2 3
M  V30 3 2 2 19
M  V30 4 1 4 5
M  V30 5 2 4 6
M  V30 6 1 4 14
M  V30 7 2 5 7
M  V30 8 1 5 8
M  V30 9 1 6 9
M  V30 10 1 7 10
M  V30 11 1 7 11
M  V30 12 2 8 12
M  V30 13 2 9 10
M  V30 14 2 11 13
M  V30 15 1 12 13
M  V30 16 1 14 15
M  V30 17 1 14 16
M  V30 18 1 15 17
M  V30 19 1 16 18
M  V30 20 1 17 19
M  V30 21 1 18 19
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
88070-98-8

> <cas.index.name>
2H-Pyran-2-one, 6-(bromomethylene)tetrahydro-3-(1-naphthalenyl)-, (6E)-

> <molecular.formula>
C16H13BrO2

> <molecular.weight>
317.18

> <boiling.point.predicted>
467.0±45.0 °C    Press: 760 Torr

> <density.predicted>
1.538±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

$$$$
