Molecule FYI-1007077

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A

Molecule Summary:

ID: FYI-1007077
Names:
InChIKey: WLAMNBDJUVNPJU-UHFFFAOYSA-N
SMILES: CCC(C)C(=O)O

Received at FYIcenter.com on: 2024-01-29

Molecule ID: FYI-1007077 Edit

Molecule Structure InChIKey: WLAMNBDJUVNPJU-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1007077
FYIcenter.com

  7  6  0  0  0  0  0  0  0  0999 V2000
    4.8497    1.4000    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
    2.4249    0.0000    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
    1.2124    3.5000    0.0000 O   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  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  5  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007077-3D
FYIcenter.com

 17 16  0     1  0  0  0  0  0999 V2000
   -1.8717   -0.4600   -0.8524 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8275   -1.0862    1.0619 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1716    0.6593   -0.3160 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5706    0.2854    0.1994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2719    2.0017    0.2604 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0928   -1.0100   -0.4093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8639   -0.3900    0.0559 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2123    0.7275   -1.4104 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5621    0.1849    1.2917 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2737    1.0920   -0.0412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3336    1.9646    1.3538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2628    2.2798   -0.1148 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4287    2.7963   -0.0162 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4793   -1.8701   -0.1263 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1152   -0.9473   -1.5019 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1132   -1.2017   -0.0617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5430   -1.1302   -0.6022 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 17  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  6  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
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
M  END
$$$$

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2024-02-11, 213👍, 0💬