Molecule FYI-1014196

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A

Molecule Summary:

ID: FYI-1014196
Names:
InChIKey: JRGPFCACCBCNBN-UHFFFAOYSA-N
SMILES: COC1C=CC=CC1

Received at FYIcenter.com on: 2025-03-11

Molecule ID: FYI-1014196 Edit

Molecule Structure InChIKey: JRGPFCACCBCNBN-UHFFFAOYSA-N

Molecule Structure SMILES String: COC1C=CC=CC1

Download SDF Download SVG Structure in 2D SDF:

FYI-1014196
FYIcenter.com

  8  8  0  0  0  0  0  0  0  0999 V2000
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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  1  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
  8  7  1  0  0  0  0
  8  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014196-3D
FYIcenter.com

 18 18  0     1  0  0  0  0  0999 V2000
    1.6452   -0.5354    0.4601 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6505   -0.3408   -0.5464 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4518   -1.4112   -0.3929 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1679    1.0795   -0.4582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7176   -0.9185    0.2546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0566    1.3979   -0.0170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9804    0.3842    0.4239 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7428    0.3442    0.2759 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1205   -0.5013   -1.5258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0696   -2.2624    0.1831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7252   -1.7906   -1.3858 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8186    1.8804   -0.7983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4456   -1.6579    0.5749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3803    2.4321    0.0228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9087    0.7074    0.8821 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5185    1.3471    0.6509 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0718    0.3805   -0.7679 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5761   -0.0388    0.8732 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  3  5  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4  6  2  0  0  0  0
  4 12  1  0  0  0  0
  5  7  2  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
M  END
$$$$

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2025-04-11, 184👍, 0💬