Molecule Editor

Molecule ID: FYI-1015751 Edit

Molecule Structure InChIKey: LCTONWCANYUPML-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1015751
FYIcenter.com

  6  5  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
    1.2124    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    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 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015751-3D
FYIcenter.com

 10  9  0     0  0  0  0  0  0999 V2000
   -1.4581   -0.9961    0.0082 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0591   -1.3165   -0.0143 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1940    1.2825   -0.0180 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7111   -0.1452   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6443    1.0273    0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7624    0.1480    0.0141 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4810    1.6386   -0.8810 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6775    0.6689    0.0045 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4842    1.6204    0.9138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4268   -0.8423   -0.0073 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 10  1  0  0  0  0
  2  4  2  0  0  0  0
  3  6  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
M  END
$$$$