KEGG   COMPOUND: C22826
Entry
C22826                      Compound                               
Name
2-Phenylacetoacetonitrile;
2-Acetyl-2-phenylacetonitrile
Formula
C10H9NO
Exact mass
159.0684
Mol weight
159.1846
Structure
Brite
Narcotics and psychotropics in Japan [br08308.html]
 Stimulants by Control Act Article 2 Appended Table and Cabinet Order
  C22826
Other DBs
CAS: 4468-48-8
LinkDB
KCF data

ATOM        12
            1   C8y C    14.7632  -30.0243
            2   C8x C    15.9528  -30.7240
            3   C8x C    13.5037  -30.7240
            4   C1c C    14.7632  -28.6248
            5   C8x C    15.9528  -32.1235
            6   C8x C    13.5037  -32.1235
            7   C3b C    15.9528  -27.9251
            8   C8x C    14.7632  -32.8232
            9   N3a N    17.1424  -27.2253
            10  C5a C    13.5508  -27.9248
            11  C1a C    13.5508  -26.5248
            12  O5a O    12.3384  -28.6248
BOND        12
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     3   6 1
            6     4   7 1
            7     5   8 1
            8     7   9 3
            9     6   8 2
            10    4  10 1
            11   10  11 1
            12   10  12 2

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