Molecule FYI-1003679

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A

Molecule Summary:

ID: FYI-1003679
Names:
InChIKey: GZUCKQPYAQFHIC-UHFFFAOYSA-N
SMILES: CC(=O)OC(O)CCO

Received at FYIcenter.com on: 2023-07-18

Molecule ID: FYI-1003679 Edit

Molecule Structure InChIKey: GZUCKQPYAQFHIC-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=O)OC(O)CCO

Download SDF Download SVG Structure in 2D SDF:

FYI-1003679
FYIcenter.com

  9  8  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 O   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 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003679-3D
FYIcenter.com

 19 18  0     1  0  0  0  0  0999 V2000
    0.6078   -0.2188   -0.4282 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1504    2.1045   -0.4324 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5220   -0.9127    0.0451 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3589    0.2773    0.9946 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6539    0.5656   -0.1952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1878    0.8410    0.1321 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1507   -0.7527    0.3830 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8544   -0.3844    0.0977 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5430   -1.5198   -0.5967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7957    0.5507   -1.2843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2817    1.3924    0.1608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0645    0.8882    1.2215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0582   -0.7581    1.4737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5951   -1.6020   -0.0263 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9056    2.4495    0.0734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8135   -1.7573    0.4288 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9730   -2.4415   -0.4552 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6513   -1.2929   -1.6603 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5391   -1.6576   -0.1663 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  8  1  0  0  0  0
  2  6  1  0  0  0  0
  2 15  1  0  0  0  0
  3  7  1  0  0  0  0
  3 16  1  0  0  0  0
  4  8  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8  9  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
M  END
$$$$

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2023-07-29, 2090👍, 0💬