4-Nitro-1-naphthol
C10H7NO3
605-62-9 Copyright (C) 2024 ACS
 14 15  0  0  0  0  0  0  0  0999 V2000
    0.7700    4.0011    0.0000 N   0  0  0  0  0  5  0  0  0  0  0  0
    0.0000    2.6674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300    4.0011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800    2.6674    0.0000 C   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
    2.3100    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3900    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3900    1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800    5.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    5.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  7  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  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  2  0  0  0  0
  8 12  2  0  0  0  0
  9 13  2  0  0  0  0
 10 14  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
> <cas.rn>
605-62-9

> <cas.index.name>
1-Naphthalenol, 4-nitro-

> <molecular.formula>
C10H7NO3

> <molecular.weight>
189.17

> <melting.point.experimental>
164-167 °C

> <boiling.point.predicted>
398.773±25.00 °C    Press: 760.00 Torr

> <density.predicted>
1.414±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
6.220±0.40    Most Acidic Temp: 25 °C

$$$$
