Molecule FYI-1001531

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A

Molecule Summary:

ID: FYI-1001531
SMILES: CC(=O)Oc1ccccc1C(=O)O

Received at FYIcenter.com on: 2022-08-30

Molecule ID: FYI-1001531 Edit

Molecule Structure SMILES String: CC(=O)Oc1ccccc1C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001531
FYIcenter.com

 13 13  0  0  0  0  0  0  0  0999 V2000
    4.8498    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001531-3D
FYIcenter.com

 21 21  0  0  0  0  0  0  0  0999 V2000
    1.0291   -0.2297    1.0156 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4745   -0.0374    1.3660 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8788    0.7725    2.1871 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2516   -0.9312    0.6187 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6563   -0.9401    0.7781 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3746    0.2558    0.8660 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7600    0.2294    1.0276 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4361   -0.9884    1.0751 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7270   -2.1839    0.9478 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3339   -2.1714    0.7831 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6635   -3.4900    0.6410 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0926   -4.5086    1.1519 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5847   -3.4803   -0.1696 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4338    0.5391    1.5176 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6941   -1.2121    1.3554 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8869   -0.1214   -0.0623 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8732    1.2200    0.8295 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3112    1.1616    1.1265 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5150   -1.0072    1.2093 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2665   -3.1299    0.9760 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3850   -2.6067   -0.5543 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  2  0  0  0  0
  6  7  2  0  0  0  0
  6 17  1  0  0  0  0
  7  8  1  0  0  0  0
  7 18  1  0  0  0  0
  8  9  2  0  0  0  0
  8 19  1  0  0  0  0
  9 10  1  0  0  0  0
  9 20  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 21  1  0  0  0  0
M  END
$$$$

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2022-10-01, 898👍, 0💬