KEGG   COMPOUND: C14385
Entry
C14385                      Compound                               
Name
2-Ethylphenol;
o-Ethylphenol
Formula
C8H10O
Exact mass
122.0732
Mol weight
122.1644
Structure
Comment
3-Ethylphenol [CPD:C14386]
4-Ethylphenol [CPD:C13637]
Other DBs
CAS: 90-00-6
PubChem: 17395385
ChEBI: 34275
PDB-CCD: JZ1[PDBj]
NIKKAJI: J3.550E
LinkDB
KCF data

ATOM        9
            1   C8y C    28.0610  -19.5218
            2   C8x C    28.0610  -20.9212
            3   C8x C    26.8715  -21.6209
            4   C8x C    25.6120  -20.9212
            5   C8x C    25.6120  -19.5218
            6   C8y C    26.8715  -18.8221
            7   O1a O    26.8715  -17.4227
            8   C1b C    29.2505  -18.8221
            9   C1a C    30.4400  -19.5218
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     1   8 1
            9     8   9 1

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