Molecule FYI-1006377

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Molecule Summary:

ID: FYI-1006377
Names:
InChIKey: POQJHLBMLVTHAU-UHFFFAOYSA-N
SMILES: Cc1ccc(C=O)cc1C

Received at FYIcenter.com on: 2023-12-13

Molecule ID: FYI-1006377 Edit

Molecule Structure InChIKey: POQJHLBMLVTHAU-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1ccc(C=O)cc1C

Download SDF Download SVG Structure in 2D SDF:

FYI-1006377
FYIcenter.com

 10 10  0  0  0  0  0  0  0  0999 V2000
    3.6372    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    3.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    3.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  8  1  0  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  4  6  2  0  0  0  0
  5  7  2  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006377-3D
FYIcenter.com

 20 20  0     0  0  0  0  0  0999 V2000
   -3.5145    0.2013    0.0008 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1655   -0.7662   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4958    0.5889    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1733   -1.1577   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4873    1.5526    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1818   -0.1941   -0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8515    1.1612   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2280   -1.8160    0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9220    1.0321   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5776   -0.6021   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4325   -2.2140   -0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7272    2.6126    0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6205    1.9291   -0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8021   -2.8254   -0.0021 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8567   -1.7292   -0.8916 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8525   -1.7319    0.8959 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4400    0.6662    0.8924 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4381    0.6701   -0.8952 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0075    2.1244    0.0024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7766   -1.6873   -0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  8  1  0  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  4  6  2  0  0  0  0
  4 11  1  0  0  0  0
  5  7  2  0  0  0  0
  5 12  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
M  END
$$$$

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2023-12-29, 356👍, 0💬