Aceclidine
C9H15NO2
827-61-2 Copyright (C) 2025 ACS
 12 13  0  0  0  0  0  0  0  0999 V2000
    5.2434    3.4980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5772    2.7280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5772    1.1880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9108    3.4980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9097    2.7280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3449    2.2257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0228    1.9238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2412    0.7452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2311    3.3850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1484    1.5065    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0258    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
> <cas.rn>
827-61-2

> <ca.index.name>
1-Azabicyclo[2.2.2]octan-3-ol, 3-acetate

> <molecular.formula>
C9H15NO2

> <smiles.canonical>
O=C(OC1CN2CCC1CC2)C

> <molecular.weight>
169.22

> <boiling.point.experimental>
113-115 °C    Press: 11 Torr

> <density.predicted>
1.119±0.10 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
9.282±0.10    Most Basic Temp: 25 °C

$$$$
