KEGG   COMPOUND: C02596
Entry
C02596                      Compound                               
Name
Tolylacetonitrile;
o-Tolylacetonitrile;
o-Methylbenzyl cyanide;
2-Methylbezeneacetonitrile
Formula
C9H9N
Exact mass
131.0735
Mol weight
131.1745
Structure
Other DBs
CAS: 22364-68-7
PubChem: 5587
ChEBI: 27982
NIKKAJI: J55.009D
LinkDB
KCF data

ATOM        10
            1   C8y C    25.8553  -16.8067
            2   C8y C    25.8553  -15.4058
            3   C8x C    24.6391  -17.5137
            4   C1b C    27.0463  -17.5009
            5   C8x C    24.6391  -14.7181
            6   C1a C    27.0970  -14.6162
            7   C8x C    23.4419  -16.8067
            8   C3b C    28.2498  -16.8067
            9   C8x C    23.4419  -15.4058
            10  N3a N    29.4470  -16.1128
BOND        10
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     4   8 1
            8     5   9 2
            9     8  10 3
            10    7   9 1

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