Molecule FYI-1015356

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A

Molecule Summary:

ID: FYI-1015356
Names:
InChIKey: KCDXJAYRVLXPFO-UHFFFAOYSA-N
SMILES: COc1cc(C=O)cc(OC)c1O

Received at FYIcenter.com on: 2025-08-12

Molecule ID: FYI-1015356 Edit

Molecule Structure InChIKey: KCDXJAYRVLXPFO-UHFFFAOYSA-N

Molecule Structure SMILES String: COc1cc(C=O)cc(OC)c1O

Download SDF Download SVG Structure in 2D SDF:

FYI-1015356
FYIcenter.com

 13 13  0  0  0  0  0  0  0  0999 V2000
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    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
    3.6374    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   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  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  8  1  0  0  0  0
 10  7  1  0  0  0  0
 11 10  1  0  0  0  0
 12  5  1  0  0  0  0
 13 12  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015356-3D
FYIcenter.com

 23 23  0     0  0  0  0  0  0999 V2000
   -0.6507    2.5116    0.0745 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6301   -0.9471   -0.3800 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9951    1.7426   -0.2001 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2536   -1.8459    0.1124 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3221    1.1924   -0.0147 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3334   -0.5525   -0.2431 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0098    0.8014   -0.1527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0068   -1.1240   -0.0576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3303    0.2297    0.0329 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3250   -1.5152   -0.1956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0583   -2.1278   -0.0084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0347    2.8266    0.2136 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3630   -1.1917    0.8187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3792    0.4843    0.1391 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5855   -2.5686   -0.2680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7407   -3.1816   -0.0848 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5842    2.6212   -0.1224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1119    3.9175    0.2698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6109    2.5135   -0.6638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4473    2.4318    1.1483 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9032   -2.0042    1.3900 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4162   -0.2854    1.4303 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3791   -1.4885    0.5446 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 12  1  0  0  0  0
  2  6  1  0  0  0  0
  2 13  1  0  0  0  0
  3  7  1  0  0  0  0
  3 17  1  0  0  0  0
  4 11  2  0  0  0  0
  5  7  2  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 18  1  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
 13 21  1  0  0  0  0
 13 22  1  0  0  0  0
 13 23  1  0  0  0  0
M  END
$$$$

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2025-08-18, 942👍, 0💬