Molecule FYI-1005177

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Molecule Summary:

ID: FYI-1005177
Names:
InChIKey: QMOUHRXVXLPFNZ-UHFFFAOYSA-N
SMILES: C[C@H](C)C.C.OO

Received at FYIcenter.com on: 2023-10-16

Molecule ID: FYI-1005177 Edit

Molecule Structure InChIKey: QMOUHRXVXLPFNZ-UHFFFAOYSA-N

Molecule Structure SMILES String: C[C@H](C)C.C.OO

Download SDF Download SVG Structure in 2D SDF:

FYI-1005177
FYIcenter.com

  7  4  0  0  0  0  0  0  0  0999 V2000
    0.4210    4.8057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8999    3.4900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2786    3.2470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1690    2.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4366    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6490    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  7  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005177-3D
FYIcenter.com

 23 20  0  0  0  0  0  0  0  0999 V2000
    1.3171    0.7756   -0.8154 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8260    0.7789   -0.6089 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2116    0.1285    0.7213 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5436    0.0787   -1.7652 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2060    0.4384    2.6021 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7272   -2.5492   -1.8167 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5783   -2.9162   -0.7001 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8505    1.5635   -0.2161 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8648   -0.1762   -0.5193 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0504    0.9603   -1.8610 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1685    1.8192   -0.5953 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7664   -0.8661    0.8270 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8748    0.7456    1.5593 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2965    0.0158    0.8078 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3135   -0.9895   -1.7952 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6286    0.1864   -1.6642 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2544    0.5199   -2.7249 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0924    0.6461    3.2041 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3745   -0.4570    2.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0051    1.2884    1.9478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6454    0.2772    3.2599 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3943   -2.0393   -2.3150 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0350   -2.5157    0.0025 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 11  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6 22  1  0  0  0  0
  7 23  1  0  0  0  0
M  END
$$$$

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2023-11-02, 745👍, 0💬