Luciferin
C26H21N3O2
50909-86-9 Copyright (C) 2024 ACS
 31 35  0  0  0  0  0  0  0  0999 V2000
    7.0022    4.0012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0620   10.6530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0012    9.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2424    6.6685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0022    6.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7722    8.0022    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7722    5.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4958    6.9887    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3123    8.0022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7418    9.1467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3123    5.3348    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    8.5202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0823    6.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7722    2.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3123    2.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0022    1.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0823    1.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7722    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3123    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6223    6.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    8.0022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    5.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9324    8.0022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9324    5.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7024    6.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    8.5202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    9.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    6.9802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.5202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    6.2102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 14  1  0  0  0  0
  2 10  2  0  0  0  0
  3 12  1  0  0  0  0
  3 26  1  0  0  0  0
  4 25  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  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 20  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
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  2  0  0  0  0
 29 31  2  0  0  0  0
 30 31  1  0  0  0  0
M  END
> <cas.rn>
50909-86-9

> <cas.index.name>
Imidazo[1,2-a]pyrazin-3(7H)-one, 6-(4-hydroxyphenyl)-2,8-bis(phenylmethyl)-

> <molecular.formula>
C26H21N3O2

> <molecular.weight>
407.46

> <boiling.point.predicted>
593.454±60.00 °C    Press: 760.00 Torr

> <density.predicted>
1.261±0.14 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
10.503±0.30    Most Acidic Temp: 25 °C

$$$$
