Molecule FYI-1001594

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A

Molecule Summary:

ID: FYI-1001594
SMILES: CCC(=O)C

Received at FYIcenter.com on: 2022-09-24

Molecule ID: FYI-1001594 Edit

Molecule Structure SMILES String: CCC(=O)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1001594
FYIcenter.com

  5  4  0  0  0  0  0  0  0  0999 V2000
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   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  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001594-3D
FYIcenter.com

 13 12  0  0  0  0  0  0  0  0999 V2000
    0.9125   -0.0544   -0.0074 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4289    0.0194   -0.0411 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9312    1.3212   -0.6360 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1741    2.2045   -1.0379 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4240    1.4999   -0.7196 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5849   -1.0040    0.4264 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4934    0.0242   -1.0160 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4933    0.7594    0.5935 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8227   -0.8067   -0.6424 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8228   -0.0667    0.9770 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9403    0.6231   -0.3202 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7148    2.3754   -0.1336 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7125    1.6306   -1.7656 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-10-07, 416👍, 0💬