Molecule FYI-1002219

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A

Molecule Summary:

ID: FYI-1002219
Names:
InChIKey: VVQNEPGJFQJSBK-UHFFFAOYSA-N
SMILES: C=C(C)C(=O)OC

Received at FYIcenter.com on: 2023-02-05

Molecule ID: FYI-1002219 Edit

Molecule Structure InChIKey: VVQNEPGJFQJSBK-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1002219
FYIcenter.com

 15 14  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   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    2.8000    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
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3622    4.7124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7622    2.2876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0249    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  3  7  2  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002219-3D
FYIcenter.com

 15 14  0     0  0  0  0  0  0999 V2000
   -1.1444   -0.6878    0.0001 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6224    1.5540    0.0004 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1128   -0.1101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4058   -1.5793    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2953    0.3757    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0832    0.8155   -0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5398   -0.3681   -0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9825   -2.0559    0.8904 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9821   -2.0563   -0.8896 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4825   -1.7814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1292    0.5249   -0.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8768    1.8806   -0.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1031   -1.3051   -0.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7981    0.1974   -0.9010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7990    0.1975    0.8995 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  7  1  0  0  0  0
  2  5  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
M  END
$$$$

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2023-02-28, 641👍, 0💬