Molecule FYI-1004870

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A

Molecule Summary:

ID: FYI-1004870
Names:
InChIKey: WAPNOHKVXSQRPX-SSDOTTSWSA-N
SMILES: C[C@@H](O)c1ccccc1

Received at FYIcenter.com on: 2023-09-25

Molecule ID: FYI-1004870 Edit

Molecule Structure InChIKey: WAPNOHKVXSQRPX-SSDOTTSWSA-N

Molecule Structure SMILES String: C[C@@H](O)c1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1004870
FYIcenter.com

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    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  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004870-3D
FYIcenter.com

 19 19  0     1  0  0  0  0  0999 V2000
    2.3471    0.9271    0.7387 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7651   -0.2957    0.2721 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2883   -0.1381    0.1345 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4443   -0.6879   -1.0435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2523    1.1033   -0.2010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5522   -1.2321    0.3409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333    1.2509   -0.3300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9333   -1.0844    0.2118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4737    0.1570   -0.1236 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9842   -1.0521    1.0353 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3046    0.0883   -1.8048 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0465   -1.6299   -1.4343 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5245   -0.7977   -0.8989 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3804    1.9684   -0.3796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -2.2050    0.6008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0543    2.2165   -0.5941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5879   -1.9363    0.3718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5490    0.2716   -0.2250 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3015    0.7746    0.8461 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 19  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 10  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5  7  1  0  0  0  0
  5 14  1  0  0  0  0
  6  8  2  0  0  0  0
  6 15  1  0  0  0  0
  7  9  2  0  0  0  0
  7 16  1  0  0  0  0
  8  9  1  0  0  0  0
  8 17  1  0  0  0  0
  9 18  1  0  0  0  0
M  END
$$$$

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2023-10-15, 613👍, 0💬