Phenylmethyl N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3(2H)-yl)-2-methylphenyl]c...
C18H17N3O5
359714-55-9 Copyright (C) 2024 ACS
 26 28  0  0  0  0  0  0  0  0999 V2000
   14.2894    5.3780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2400    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4758    0.9922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.8826    1.6185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    2.6674    0.0000 N   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
    5.3900    4.0011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0100    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2400    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8600    2.6674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.7653    1.4216    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3100    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <cas.rn>
359714-55-9

> <cas.index.name>
Carbamic acid, N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3(2H)-yl)-2-methylphenyl]-, phenylmethyl ester

> <molecular.formula>
C18H17N3O5

> <molecular.weight>
355.35

> <density.predicted>
1.320±0.14 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
13.312±0.70    Most Acidic Temp: 25 °C

$$$$
