Lumichrome
C12H10N4O2
1086-80-2 Copyright (C) 2025 ACS
 18 20  0  0  0  0  0  0  0  0999 V2000
    6.1600    8.0021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7800    5.3347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5400    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1600    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    5.3347    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300    6.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1600    2.6674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4700    4.0011    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4700    6.6685    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2400    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500    1.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5400    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2 14  2  0  0  0  0
  3 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 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  1  0  0  0  0
 11 15  2  0  0  0  0
 12 14  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
> <cas.rn>
1086-80-2

> <ca.index.name>
Benzo[g]pteridine-2,4(1H,3H)-dione, 7,8-dimethyl-

> <molecular.formula>
C12H10N4O2

> <smiles.canonical>
O=C1N=C2NC=3C=C(C(=CC3N=C2C(=O)N1)C)C

> <molecular.weight>
242.23

> <melting.point.experimental>
>300 °C

> <density.predicted>
1.594±0.14 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
10.020±0.70    Most Acidic Temp: 25 °C

$$$$
