2-[(9,10-Dihydro-3,4,8,8-tetramethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b′]dipyran-5...
C29H32N2O6
956965-61-0 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  37 41 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.9302 8.1851 0.0 0
M  V30 2 C 8.4702 8.1851 0.0 0
M  V30 3 C 9.2402 9.5188 0.0 0
M  V30 4 N 10.7802 9.5188 0.0 0
M  V30 5 O 8.4702 10.8525 0.0 0
M  V30 6 C 11.5503 10.8525 0.0 0
M  V30 7 C 13.0903 10.8525 0.0 0
M  V30 8 C 4.6201 9.5188 0.0 0
M  V30 9 O 0.0000 6.8515 0.0 0
M  V30 10 C 1.5400 9.5188 0.0 0
M  V30 11 C 7.6073 0.9898 0.0 0
M  V30 12 C 5.8928 0.0000 0.0 0
M  V30 13 O 19.1455 10.7622 0.0 0
M  V30 14 C 20.6103 11.2381 0.0 0
M  V30 15 C 3.8501 5.5176 0.0 0
M  V30 16 C 4.6201 6.8515 0.0 0
M  V30 17 C 4.6201 4.1840 0.0 0
M  V30 18 O 2.3101 5.5176 0.0 0
M  V30 19 C 6.1601 6.8515 0.0 0
M  V30 20 C 3.8501 8.1851 0.0 0
M  V30 21 C 6.1601 4.1840 0.0 0
M  V30 22 C 3.8501 2.8503 0.0 0
M  V30 23 C 1.5400 6.8515 0.0 0
M  V30 24 C 6.9302 5.5176 0.0 0
M  V30 25 C 2.3101 8.1851 0.0 0
M  V30 26 O 6.9302 2.8503 0.0 0
M  V30 27 C 4.6201 1.5166 0.0 0
M  V30 28 C 6.1601 1.5166 0.0 0
M  V30 29 C 13.8603 12.1863 0.0 0
M  V30 30 C 15.3920 12.3472 0.0 0
M  V30 31 C 13.2340 13.5931 0.0 0
M  V30 32 C 15.7122 13.8535 0.0 0
M  V30 33 C 16.5364 11.3168 0.0 0
M  V30 34 N 14.3784 14.6235 0.0 0
M  V30 35 C 17.1768 14.3295 0.0 0
M  V30 36 C 18.0011 11.7927 0.0 0
M  V30 37 C 18.3213 13.2990 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 19
M  V30 3 1 2 3
M  V30 4 1 3 4
M  V30 5 2 3 5
M  V30 6 1 4 6
M  V30 7 1 6 7
M  V30 8 1 7 29
M  V30 9 1 8 20
M  V30 10 2 9 23
M  V30 11 1 10 25
M  V30 12 1 11 28
M  V30 13 1 12 28
M  V30 14 1 13 14
M  V30 15 1 13 36
M  V30 16 2 15 16
M  V30 17 1 15 17
M  V30 18 1 15 18
M  V30 19 1 16 19
M  V30 20 1 16 20
M  V30 21 2 17 21
M  V30 22 1 17 22
M  V30 23 1 18 23
M  V30 24 2 19 24
M  V30 25 2 20 25
M  V30 26 1 21 24
M  V30 27 1 21 26
M  V30 28 1 22 27
M  V30 29 1 23 25
M  V30 30 1 26 28
M  V30 31 1 27 28
M  V30 32 1 29 30
M  V30 33 2 29 31
M  V30 34 1 30 32
M  V30 35 2 30 33
M  V30 36 1 31 34
M  V30 37 1 32 34
M  V30 38 2 32 35
M  V30 39 1 33 36
M  V30 40 1 35 37
M  V30 41 2 36 37
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
956965-61-0

> <cas.index.name>
Acetamide, 2-[(9,10-dihydro-3,4,8,8-tetramethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b′]dipyran-5-yl)oxy]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-

> <molecular.formula>
C29H32N2O6

> <molecular.weight>
504.58

> <boiling.point.predicted>
783.8±60.0 °C    Press: 760 Torr

> <density.predicted>
1.242±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
14.17±0.46    Most Acidic Temp: 25 °C

$$$$
