Molecule FYI-1014810

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Molecule Summary:

ID: FYI-1014810
Names:
InChIKey: XNGIFLGASWRNHJ-UHFFFAOYSA-N
SMILES: O=C(O)c1ccccc1C(=O)O

Received at FYIcenter.com on: 2025-05-27

Molecule ID: FYI-1014810 Edit

Molecule Structure InChIKey: XNGIFLGASWRNHJ-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)c1ccccc1C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1014810
FYIcenter.com

 12 12  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.7000    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
    1.2124    2.8000    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
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    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
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  3  7  1  0  0  0  0
  2  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014810-3D
FYIcenter.com

 18 18  0     0  0  0  0  0  0999 V2000
    1.7290    1.4489    1.3029 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5215   -2.7686    0.5099 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9428    1.6028   -0.9548 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9461   -1.3534   -0.5551 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0746    0.7330   -0.0074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2844   -0.6449   -0.0581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1638    1.6044    0.0075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5834   -1.1517   -0.0940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4629    1.0975   -0.0284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6727   -0.2805   -0.0792 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2700    1.2931    0.0319 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8325   -1.5806   -0.0750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0134    2.6802    0.0468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7809   -2.2192   -0.1474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3110    1.7758   -0.0177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6843   -0.6746   -0.1104 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6343    1.8264    1.3204 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2785   -3.3924    0.4947 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 17  1  0  0  0  0
  2 12  1  0  0  0  0
  2 18  1  0  0  0  0
  3 11  2  0  0  0  0
  4 12  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5 11  1  0  0  0  0
  6  8  2  0  0  0  0
  6 12  1  0  0  0  0
  7  9  1  0  0  0  0
  7 13  1  0  0  0  0
  8 10  1  0  0  0  0
  8 14  1  0  0  0  0
  9 10  2  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
M  END
$$$$

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2025-06-21, 160👍, 0💬