Molecule FYI-1000235

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Molecule Summary:

ID: FYI-1000235
SMILES: COC1=CC=C(C=C1)C=O

Received at FYIcenter.com on: 2021-01-29

Molecule ID: FYI-1000235 Edit

Molecule Structure SMILES String: COC1=CC=C(C=C1)C=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1000235
FYIcenter.com

 10 10  0  0  0  0  0  0  0  0999 V2000
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    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
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  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
  8  3  1  0  0  0  0
  9  6  1  0  0  0  0
 10  9  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000235-3D
FYIcenter.com

 18 18  0  0  0  0  0  0  0  0999 V2000
    1.3481    0.6224   -0.4901 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4282   -0.0887    0.1035 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0737   -0.9979   -0.6888 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7403   -1.3165   -2.0067 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4831   -2.2719   -2.7078 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5617   -2.9085   -2.0904 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9031   -2.5973   -0.7736 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1549   -1.6427   -0.0787 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3476   -3.9173   -2.8283 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0875   -4.2281   -3.9838 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9370    1.3001    0.2642 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5470   -0.0584   -0.7966 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6946    1.2305   -1.3325 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9092   -0.8440   -2.5198 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2158   -2.5163   -3.7341 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7390   -3.0832   -0.2781 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4156   -1.3961    0.9486 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1877   -4.3815   -2.2853 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  2  0  0  0  0
  5 15  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  7 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 10  2  0  0  0  0
  9 18  1  0  0  0  0
M  END
$$$$

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2021-02-17, 2244👍, 0💬