Molecule Editor

Molecule ID: FYI-1007142 Edit

Molecule Structure InChIKey: XBDQKXXYIPTUBI-UHFFFAOYSA-N

Molecule Structure SMILES String: CCC(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1007142
FYIcenter.com

  5  4  0  0  0  0  0  0  0  0999 V2000
    3.6373    0.7000    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    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   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  1  0  0  0  0
  5  3  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007142-3D
FYIcenter.com

 11 10  0     0  0  0  0  0  0999 V2000
   -1.6213   -0.7156    0.0046 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5700    1.3033   -0.0019 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7276   -0.7599   -0.0070 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9862    0.0899    0.0054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5226    0.0823   -0.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7203   -1.3855   -0.9056 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7165   -1.4038    0.8788 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8762   -0.5468    0.0023 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0288    0.7425   -0.8730 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0227    0.7256    0.8964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4520   -0.1939    0.0083 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  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
  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
M  END
$$$$