KEGG   COMPOUND: C12101
Entry
C12101                      Compound                               

Name
1-Cyclohexenecarboxylic acid;
Cyclohex-1-enecarboxylic acid;
1-Cyclohexene-1-carboxylic acid
Formula
C7H10O2
Exact mass
126.0681
Mol weight
126.1531
Structure
Other DBs
CAS: 636-82-8
PubChem: 14248
ChEBI: 29565
ChEMBL: CHEMBL324173
KNApSAcK: C00000336
NIKKAJI: J36.755I
KCF data

ATOM        9
            1   C1x C    23.6540  -17.8581
            2   C1x C    23.6540  -19.2574
            3   C1x C    24.8696  -19.9606
            4   C1x C    26.0783  -19.2574
            5   C2x C    26.0783  -17.8581
            6   C2y C    24.8696  -17.1620
            7   C6a C    24.8713  -15.7626
            8   O6a O    26.0851  -15.0609
            9   O6a O    23.6596  -15.0578
BOND        9
            1     3   4 1
            2     4   5 1
            3     5   6 2
            4     6   1 1
            5     6   7 1
            6     1   2 1
            7     7   8 1
            8     2   3 1
            9     7   9 2

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