Efaproxiral
C20H23NO4
131179-95-8 Copyright (C) 2024 ACS
 25 26  0  0  0  0  0  0  0  0999 V2000
    3.6437    1.8973    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3101    2.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5400    1.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9762    3.4374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0801    4.0012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3101    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9786    4.9774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3122    4.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6459    4.9774    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3122    2.6673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9807    4.9774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3134    0.3573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9774    2.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3111    1.8973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9774    4.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6449    2.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3111    4.9774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6449    4.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9797    4.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3134    4.9774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9797    2.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6471    4.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3134    1.8973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6471    2.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 14  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  8  9  1  0  0  0  0
  8 19  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 20  1  0  0  0  0
 12 23  1  0  0  0  0
 13 24  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
> <cas.rn>
131179-95-8

> <cas.index.name>
Propanoic acid, 2-[4-[2-[(3,5-dimethylphenyl)amino]-2-oxoethyl]phenoxy]-2-methyl-

> <molecular.formula>
C20H23NO4

> <molecular.weight>
341.40

> <melting.point.experimental>
138-139 °C    Solvent: Heptane

> <boiling.point.predicted>
554.526±50.00 °C    Press: 760.00 Torr

> <density.predicted>
1.202±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
3.262±0.10    Most Acidic Temp: 25 °C

$$$$
