KEGG   COMPOUND: C14386
Entry
C14386                      Compound                               
Name
3-Ethylphenol
Formula
C8H10O
Exact mass
122.0732
Mol weight
122.1644
Structure
Comment
2-Ethylphenol [CPD:C14385]
4-Ethylphenol [CPD:C13637]
Other DBs
CAS: 620-17-7
PubChem: 17395386
ChEBI: 34332
NIKKAJI: J2.086I
LinkDB
KCF data

ATOM        9
            1   C8x C    28.0167  -19.5562
            2   C8y C    28.0167  -20.9528
            3   C8x C    26.8295  -21.6511
            4   C8x C    25.5725  -20.9528
            5   C8x C    25.5725  -19.5562
            6   C8y C    26.8295  -18.8579
            7   O1a O    26.8295  -17.4612
            8   C1b C    29.2401  -21.6525
            9   C1a C    30.4238  -20.9625
BOND        9
            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     2   8 1
            9     8   9 1

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