Molecule FYI-1004676

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Molecule Summary:

ID: FYI-1004676
Names: PHENOL;
InChIKey: ISWSIDIOOBJBQZ-UHFFFAOYSA-N
SMILES: Oc1ccccc1

Received at FYIcenter.com on: 2023-09-20

Molecule ID: FYI-1004676 Edit

Molecule Names: PHENOL;

Molecule Structure InChIKey: ISWSIDIOOBJBQZ-UHFFFAOYSA-N

Molecule Structure SMILES String: Oc1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1004676
FYIcenter.com

  7  7  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.8000    0.0000 O   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
    1.2125    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
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004676-3D
FYIcenter.com

 13 13  0     0  0  0  0  0  0999 V2000
   -2.3622    0.0001   -0.0004 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0011    0.0000    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3037    1.2080    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3038   -1.2079    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0912    1.2080   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0911   -1.2080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7886    0.0000   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8351    2.1559    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8415   -2.1521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6345    2.1484   -0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6341   -2.1486   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8747   -0.0001   -0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6772    0.9203   -0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 13  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  4  6  2  0  0  0  0
  4  9  1  0  0  0  0
  5  7  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
M  END
$$$$

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2023-09-23, 1312👍, 0💬