KEGG   COMPOUND: C17823
Entry
C17823                      Compound                               
Name
2,4,5-Trimethoxytoluene
Formula
C10H14O3
Exact mass
182.0943
Mol weight
182.2164
Structure
Other DBs
PubChem: 96024121
ChEBI: 81355
NIKKAJI: J534.830G
LinkDB
KCF data

ATOM        13
            1   C8x C    19.6700  -25.4800
            2   C8y C    19.6700  -26.8800
            3   C8y C    20.8824  -27.5800
            4   C8x C    22.0949  -26.8800
            5   C8y C    22.0949  -25.4800
            6   C8y C    20.8824  -24.7800
            7   C1a C    20.8824  -23.3802
            8   O2a O    23.3260  -24.7690
            9   C1a C    24.5312  -25.4647
            10  O2a O    20.8824  -28.9798
            11  C1a C    19.6532  -29.6897
            12  O2a O    18.4576  -27.5800
            13  C1a C    17.2621  -26.8896
BOND        13
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     6   7 1
            8     5   8 1
            9     8   9 1
            10    3  10 1
            11   10  11 1
            12    2  12 1
            13   12  13 1

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