Molecule FYI-1007158

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A

Molecule Summary:

ID: FYI-1007158
Names:
InChIKey: NQPDZGIKBAWPEJ-UHFFFAOYSA-N
SMILES: CCCCC(=O)O

Received at FYIcenter.com on: 2024-02-05

Molecule ID: FYI-1007158 Edit

Molecule Structure InChIKey: NQPDZGIKBAWPEJ-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCC(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1007158
FYIcenter.com

  7  6  0  0  0  0  0  0  0  0999 V2000
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    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  4  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-1007158-3D
FYIcenter.com

 17 16  0     0  0  0  0  0  0999 V2000
   -2.7319   -0.7273   -0.0214 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7340    1.3125    0.0037 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8673    0.2153    0.0151 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1918   -0.5499    0.0094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3591   -0.6973    0.0150 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4143    0.3543   -0.0230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6483    0.0924    0.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8336    0.8715    0.8942 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292    0.8738   -0.8622 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2458   -1.1882    0.8994 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2228   -1.2155   -0.8614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3524   -1.3268    0.9114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3421   -1.3385   -0.8731 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3304   -0.2443   -0.0249 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4133    0.9797   -0.9213 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4371    1.0106    0.8527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5723   -0.2216   -0.0334 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  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4  6  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5  7  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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2024-02-18, 607👍, 0💬