Molecule Editor

Molecule ID: FYI-1006952 Edit

Molecule Structure InChIKey: KQNPFQTWMSNSAP-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1006952
FYIcenter.com

  6  5  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.0000    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
    1.2125    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
    1.2125    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  2  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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006952-3D
FYIcenter.com

 14 13  0     0  0  0  0  0  0999 V2000
   -1.6001   -0.7941    0.5631 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1210    1.0244   -0.7167 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6834   -0.2161    0.3625 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2773   -1.1782   -0.6593 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5123    1.0624    0.4551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7520    0.1015   -0.0049 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875   -0.6859    1.3541 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3074   -1.4409   -0.3973 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2803   -0.7398   -1.6635 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6935   -2.1038   -0.7079 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5683    1.5751   -0.5115 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5337    0.8414    0.7819 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0693    1.7608    1.1735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5355   -0.6079    0.3340 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 14  1  0  0  0  0
  2  6  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
  3  7  1  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
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
M  END
$$$$