KEGG   COMPOUND: C02363
Entry
C02363                      Compound                               

Name
3-Ethoxybenzoate;
3-Ethoxybenzoic acid
Formula
C9H10O3
Exact mass
166.063
Mol weight
166.1739
Structure
Other DBs
CAS: 621-51-2
PubChem: 5408
ChEBI: 27990 36648
ChEMBL: CHEMBL277420
PDB-CCD: OW7[PDBj]
NIKKAJI: J100.252J
KCF data

ATOM        12
            1   C8y C    17.8141  -16.4839
            2   C8x C    17.8141  -15.0742
            3   C8x C    16.5899  -17.2016
            4   O2a O    19.0187  -17.1825
            5   C8y C    16.5899  -14.3821
            6   C8x C    15.3853  -16.4839
            7   C1b C    20.2235  -16.4839
            8   C8x C    15.3853  -15.0742
            9   C6a C    16.5836  -12.9852
            10  C1a C    21.4346  -17.1760
            11  O6a O    17.7947  -12.2929
            12  O6a O    15.3725  -12.2994
BOND        12
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 2
            6     4   7 1
            7     5   8 2
            8     5   9 1
            9     7  10 1
            10    9  11 1
            11    9  12 2
            12    6   8 1

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