Molecule FYI-1002520

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A

Molecule Summary:

ID: FYI-1002520
Names:
InChIKey: MIHINWMALJZIBX-UHFFFAOYSA-N
SMILES: OC1C=CC=CC1

Received at FYIcenter.com on: 2023-04-06

Molecule ID: FYI-1002520 Edit

Molecule Structure InChIKey: MIHINWMALJZIBX-UHFFFAOYSA-N

Molecule Structure SMILES String: OC1C=CC=CC1

Download SDF Download SVG Structure in 2D SDF:

FYI-1002520
FYIcenter.com

  7  7  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    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    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
    3.6373    0.7000    0.0000 C   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  2  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  2  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002520-3D
FYIcenter.com

 15 15  0     1  0  0  0  0  0999 V2000
    2.0440   -0.0037    0.6763 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1213    0.0039   -0.4140 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3113   -1.3108   -0.4105 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2944    1.2549   -0.3179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0876   -1.1834    0.1293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0036    1.2365    0.0139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6799    0.0026    0.3228 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7174    0.0481   -1.3332 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8390   -2.0818    0.1634 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2256   -1.6795   -1.4405 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7808    2.2052   -0.5185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6328   -2.0965    0.3485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5714    2.1579    0.0817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6943    0.0602    0.7018 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6447   -0.7574    0.5465 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 15  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  8  1  0  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4  6  2  0  0  0  0
  4 11  1  0  0  0  0
  5  7  2  0  0  0  0
  5 12  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
M  END
$$$$

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2023-04-13, 790👍, 0💬