Methyl 4,6-bis(1-methylethoxy)-1H-indole-2-carboxylate
C16H21NO4
2607143-50-8 Copyright (C) 2023 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 O 4.0011 2.3100 0.0 0
M  V30 2 C 2.6674 1.5400 0.0 0
M  V30 3 C 1.3338 2.3100 0.0 0
M  V30 4 C 2.6674 0.0000 0.0 0
M  V30 5 C 9.2447 5.3900 0.0 0
M  V30 6 O 10.0147 6.7237 0.0 0
M  V30 7 O 10.0147 4.0564 0.0 0
M  V30 8 C 11.5547 6.7237 0.0 0
M  V30 9 O 1.3338 6.9300 0.0 0
M  V30 10 C 1.3338 8.4700 0.0 0
M  V30 11 C 0.0000 9.2400 0.0 0
M  V30 12 C 2.6674 9.2400 0.0 0
M  V30 13 C 5.3347 4.6200 0.0 0
M  V30 14 C 4.0011 3.8500 0.0 0
M  V30 15 C 5.3347 6.1600 0.0 0
M  V30 16 C 6.7994 4.1442 0.0 0
M  V30 17 C 2.6674 4.6200 0.0 0
M  V30 18 N 6.7994 6.6359 0.0 0
M  V30 19 C 4.0011 6.9300 0.0 0
M  V30 20 C 7.7047 5.3900 0.0 0
M  V30 21 C 2.6674 6.1600 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 14
M  V30 3 1 2 3
M  V30 4 1 2 4
M  V30 5 1 5 6
M  V30 6 2 5 7
M  V30 7 1 5 20
M  V30 8 1 6 8
M  V30 9 1 9 10
M  V30 10 1 9 21
M  V30 11 1 10 11
M  V30 12 1 10 12
M  V30 13 2 13 14
M  V30 14 1 13 15
M  V30 15 1 13 16
M  V30 16 1 14 17
M  V30 17 1 15 18
M  V30 18 2 15 19
M  V30 19 2 16 20
M  V30 20 2 17 21
M  V30 21 1 18 20
M  V30 22 1 19 21
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
2607143-50-8

> <cas.index.name>
1H-Indole-2-carboxylic acid, 4,6-bis(1-methylethoxy)-, methyl ester

> <molecular.formula>
C16H21NO4

> <molecular.weight>
291.34

> <boiling.point.predicted>
439.9±40.0 °C    Press: 760 Torr

> <density.predicted>
1.144±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
16.02±0.30    Most Acidic Temp: 25 °C

$$$$
