Molecule FYI-1001309

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A

Molecule Summary:

ID: FYI-1001309
SMILES: CC=C(C)C=O

Received at FYIcenter.com on: 2022-05-10

Molecule ID: FYI-1001309 Edit

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1001309
FYIcenter.com

  6  5  0  0  0  0  0  0  0  0999 V2000
    4.8497    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
    2.4249    1.4000    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    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    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  3  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001309-3D
FYIcenter.com

 14 13  0  0  0  0  0  0  0  0999 V2000
    0.9240    0.0388   -0.0251 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4135   -0.0768    0.0588 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0611   -1.0322    0.7511 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4194   -2.1277    1.5452 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5488   -1.0171    0.7402 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2232   -1.8447    1.3409 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6486    0.8968   -0.6468 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4881    0.1942    0.9665 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4881   -0.8551   -0.4815 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9712    0.6795   -0.4894 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3269   -2.0859    1.5148 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7193   -2.0627    2.5956 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7192   -3.1058    1.1563 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0208   -0.2093    0.1538 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2  3  2  3  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5  6  2  0  0  0  0
  5 14  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-05-15, 440👍, 0💬