Molecule Editor

Molecule ID: FYI-1015273 Edit

Molecule Structure InChIKey: BSABBBMNWQWLLU-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1015273
FYIcenter.com

  5  4  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 O   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
    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
    2.4249    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  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015273-3D
FYIcenter.com

 11 10  0     1  0  0  0  0  0999 V2000
   -0.4664   -1.3421    0.0753 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7836    0.0319    0.2903 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5336   -0.0198   -0.4315 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6188    0.7352    0.3130 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8352    0.5947   -0.2471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7593   -0.0609   -1.5017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4066    0.7656    1.3878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5872    0.2389    0.1920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7009    1.7658   -0.0459 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9468    1.6176   -0.6468 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1403   -1.8453   -0.4946 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 11  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  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
M  END
$$$$