KEGG   COMPOUND: C17822Help
Entry
C17822                      Compound                               

Name
3,4,5-Trimethoxytoluene
Formula
C10H14O3
Exact mass
182.0943
Mol weight
182.2164
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 6443-69-2
PubChem: 96024120
ChEBI: 81354
ChEMBL: CHEMBL156710
NIKKAJI: J32.101J
KCF data Show

ATOM        13
            1   C8x C    18.9700  -24.4300
            2   C8y C    18.9700  -25.8300
            3   C8y C    20.1824  -26.5300
            4   C8y C    21.3949  -25.8300
            5   C8x C    21.3949  -24.4300
            6   C8y C    20.1824  -23.7300
            7   C1a C    20.1824  -22.3302
            8   O2a O    22.6260  -26.5410
            9   O2a O    20.1824  -27.9298
            10  O2a O    17.7576  -26.5300
            11  C1a C    23.8312  -25.8453
            12  C1a C    18.9532  -28.6397
            13  C1a C    16.5621  -25.8396
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     4   8 1
            9     3   9 1
            10    2  10 1
            11    8  11 1
            12    9  12 1
            13   10  13 1

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