Molecule FYI-1002063

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A

Molecule Summary:

ID: FYI-1002063
Names:
InChIKey: QPRQEDXDYOZYLA-UHFFFAOYSA-N
SMILES: CCC(C)CO

Received at FYIcenter.com on: 2023-01-24

Molecule ID: FYI-1002063 Edit

Molecule Structure InChIKey: QPRQEDXDYOZYLA-UHFFFAOYSA-N

Molecule Structure SMILES String: CCC(C)CO

Download SDF Download SVG Structure in 2D SDF:

FYI-1002063
FYIcenter.com

 18 17  0  0  0  0  0  0  0  0999 V2000
    1.4000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    2.1000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5248    4.0124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2248    2.8000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    4.0124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    6.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0124    4.9000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2249    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875    0.7000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  7  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002063-3D
FYIcenter.com

 18 17  0     1  0  0  0  0  0999 V2000
    2.1324    0.8539   -0.1621 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0260   -0.3606   -0.2746 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4432   -0.4242    0.1859 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8117    0.7957    0.3583 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7097   -1.6983    0.0305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2367    0.8335   -0.1380 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0444   -0.2327   -1.3652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9347   -1.2765   -0.2996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4897   -0.6059    1.2666 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8788    0.6766    1.4447 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417    1.7619    0.1542 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7530   -1.8844    1.1092 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7327   -1.7194   -0.3588 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1657   -2.5278   -0.4341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8954    1.6890    0.4519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1577    1.0868   -1.1998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2952    0.6776    0.0949 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0629    0.9713   -1.1249 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  7  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
M  END
$$$$

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2023-02-04, 3633👍, 0💬