KEGG   COMPOUND: C02595Help
Entry
C02595                      Compound                               

Name
Thien-2-ylacetate;
2-Thiopheneacetic acid;
2-Thienylacetic acid
Formula
C6H6O2S
Exact mass
142.0089
Mol weight
142.1756
Structure
Mol fileKCF fileDB searchJmolKegDraw
Other DBs
CAS: 
1918-77-0
PubChem: 
ChEBI: 
PDB-CCD: 
NIKKAJI: 
KCF data Show

ATOM        9
            1   C8x C    21.1240  -16.0407
            2   C8x C    21.5633  -17.3700
            3   C8x C    22.9633  -17.3630
            4   C8y C    23.3892  -16.0293
            5   S2x S    22.2525  -15.2122
            6   C1b C    24.5924  -15.3300
            7   C6a C    25.8049  -16.0300
            8   O6a O    27.0173  -15.3300
            9   O6a O    25.8049  -17.4298
BOND        9
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     1   5 1
            6     4   6 1
            7     6   7 1
            8     7   8 1
            9     7   9 2

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