Molecule FYI-1003713

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A

Molecule Summary:

ID: FYI-1003713
Names:
InChIKey: MRXPNWXSFCODDY-VIFPVBQESA-N
SMILES: C[C@@]2(c1ccccc1)CO2

Received at FYIcenter.com on: 2023-07-21

Molecule ID: FYI-1003713 Edit

Molecule Structure InChIKey: MRXPNWXSFCODDY-VIFPVBQESA-N

Molecule Structure SMILES String: C[C@@]2(c1ccccc1)CO2

Download SDF Download SVG Structure in 2D SDF:

FYI-1003713
FYIcenter.com

 10 11  0  0  1  0  0  0  0  0999 V2000
    2.6124    4.0322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    3.3322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3900    2.3422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0276    0.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0176    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3699    0.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7322    1.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7422    2.7046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.1198    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  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  3  1  0  0  0  0
  9  2  1  0  0  0  0
 10  9  1  0  0  0  0
 10  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003713-3D
FYIcenter.com

 20 21  0     1  0  0  0  0  0999 V2000
   -2.2418   -0.6832    0.8208 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5206    0.0400   -0.1756 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.3243    0.7472    0.8666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0337    0.0203   -0.0809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0638   -0.1143   -1.5443 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6818    1.2177   -0.0898 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6430   -1.1958    0.0144 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0739    1.1991   -0.0036 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0351   -1.2142    0.1006 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7504   -0.0168    0.0917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8224    1.2444    1.6875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2657    1.2025    0.5847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7469    0.7146   -2.1867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7245   -1.0496   -2.0033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1597   -0.1300   -1.5496 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667    2.1717   -0.1670 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0977   -2.1360    0.0200 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6310    2.1313   -0.0115 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5622   -2.1610    0.1742 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8344   -0.0312    0.1584 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  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
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6  8  1  0  0  0  0
  6 16  1  0  0  0  0
  7  9  2  0  0  0  0
  7 17  1  0  0  0  0
  8 10  2  0  0  0  0
  8 18  1  0  0  0  0
  9 10  1  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
M  END
$$$$

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2023-07-29, 479👍, 0💬