2-[4-[3-[4-(Dimethylamino)phenyl]-3-oxo-1-propen-1-yl]-2-methoxyphenoxy]aceti...
C20H21NO5
949875-48-3 Copyright (C) 2024 ACS
 26 27  0  0  0  0  0  0  0  0999 V2000
    2.6674    6.9300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6674    8.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6674    3.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6674    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3338    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3338    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0021    6.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3358    6.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6694    6.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6694    8.4700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0041    3.8500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0041    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3379    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    6.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3347    6.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3347    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    6.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0032    6.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    6.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0032    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6705    6.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6705    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  8  9  2  3  0  0  0
  8 19  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 21  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 26  1  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
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
> <cas.rn>
949875-48-3

> <cas.index.name>
Acetic acid, 2-[4-[3-[4-(dimethylamino)phenyl]-3-oxo-1-propen-1-yl]-2-methoxyphenoxy]-

> <molecular.formula>
C20H21NO5

> <molecular.weight>
355.39

> <boiling.point.predicted>
572.996±50.00 °C    Press: 760.00 Torr

> <density.predicted>
1.238±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
3.185±0.10    Most Acidic Temp: 25 °C

$$$$
