Molecule FYI-1006588

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Molecule Summary:

ID: FYI-1006588
Names:
InChIKey: IWDCLRJOBJJRNH-UHFFFAOYSA-N
SMILES: Cc1ccc(O)cc1

Received at FYIcenter.com on: 2024-01-04

Molecule ID: FYI-1006588 Edit

Molecule Structure InChIKey: IWDCLRJOBJJRNH-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1ccc(O)cc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1006588
FYIcenter.com

  8  8  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006588-3D
FYIcenter.com

 16 16  0     0  0  0  0  0  0999 V2000
   -2.7722   -0.0003    0.0003 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3786   -0.0002    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6810   -1.2081    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6814    1.2079    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7139   -1.2077   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7135    1.2081   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4111    0.0004   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8697   -0.0002   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2129   -2.1558   -0.0015 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2136    2.1556   -0.0017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2457   -2.1554   -0.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2511    2.1524   -0.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2650    0.8780    0.5216 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2654   -0.8828    0.5140 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2451    0.0042   -1.0283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0869   -0.9206    0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 16  1  0  0  0  0
  2  3  2  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
  4  6  2  0  0  0  0
  4 10  1  0  0  0  0
  5  7  2  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
M  END
$$$$

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2024-01-15, 1351👍, 0💬