N-(3-Hydroxyphenyl)-1H-indole-6-acetamide
C16H14N2O2
1787787-60-3 Copyright (C) 2024 ACS
 20 22  0  0  0  0  0  0  0  0999 V2000
    6.3710    3.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7046    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0383    3.0801    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7046    0.7700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3731    3.0801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3698    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3698    0.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7035    3.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9052    2.7859    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7035    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9051    0.2941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    0.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3721    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7058    3.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3721    0.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0395    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7058    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0395    0.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 12  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  3 15  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
> <cas.rn>
1787787-60-3

> <cas.index.name>
1H-Indole-6-acetamide, N-(3-hydroxyphenyl)-

> <molecular.formula>
C16H14N2O2

> <molecular.weight>
266.30

> <boiling.point.predicted>
608.213±45.00 °C    Press: 760.00 Torr

> <density.predicted>
1.372±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
9.545±0.10    Most Acidic Temp: 25 °C

$$$$
