2-(3-Pyridinyl)naphth[2,3-d]oxazole-4,9-dione
C16H8N2O3
2070015-29-9 Copyright (C) 2025 ACS
 21 24  0  0  0  0  0  0  0  0999 V2000
    4.0011    6.1600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    0.0000    0.0000 O   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
    5.3347    2.3100    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
    6.7994    4.3259    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7994    1.8341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6674    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7046    3.0800    0.0000 C   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    4.6200    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    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2446    3.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0146    4.4137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0146    1.7464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5547    4.4137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5547    1.7464    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3247    3.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  2  7  2  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 16  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
> <cas.rn>
2070015-29-9

> <cas.index.name>
Naphth[2,3-d]oxazole-4,9-dione, 2-(3-pyridinyl)-

> <molecular.formula>
C16H8N2O3

> <molecular.weight>
276.25

> <boiling.point.predicted>
526.075±52.00 °C    Press: 760.00 Torr

> <density.predicted>
1.427±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
2.736±0.12    Most Basic Temp: 25 °C

$$$$
