KEGG   COMPOUND: C01963Help
Entry
C01963                      Compound                               

Name
Tolylacetate;
p-Cresyl acetate;
p-Tolyacetate
Formula
C9H10O2
Exact mass
150.0681
Mol weight
150.1745
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 140-39-6
PubChem: 5064
ChEBI: 9627
ChEMBL: CHEMBL501246
NIKKAJI: J3.631E
KCF data Show

ATOM        11
            1   C8y C    15.9381  -14.1757
            2   C8x C    14.7340  -14.8674
            3   C8x C    17.1614  -14.8674
            4   O7a O    15.9381  -12.7795
            5   C8x C    14.7340  -16.2764
            6   C8x C    17.1614  -16.2764
            7   C7a C    17.1421  -12.0813
            8   C8y C    15.9381  -16.9874
            9   C1a C    18.3527  -12.7730
            10  O6a O    17.1358  -10.6851
            11  C1a C    15.9381  -18.5236
BOND        11
            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 1
            9     7  10 2
            10    8  11 1
            11    6   8 2

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