Molecule FYI-1003934

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A

Molecule Summary:

ID: FYI-1003934
Names:
InChIKey: MWOOGOJBHIARFG-UHFFFAOYSA-N
SMILES: COc1cc(C=O)ccc1O

Received at FYIcenter.com on: 2023-08-07

Molecule ID: FYI-1003934 Edit

Molecule Structure InChIKey: MWOOGOJBHIARFG-UHFFFAOYSA-N

Molecule Structure SMILES String: COc1cc(C=O)ccc1O

Download SDF Download SVG Structure in 2D SDF:

FYI-1003934
FYIcenter.com

 11 11  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   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
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    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 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
    2.4249    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    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
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  8 11  2  0  0  0  0
  3 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003934-3D
FYIcenter.com

 19 19  0     0  0  0  0  0  0999 V2000
    2.2627   -0.9870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3372    1.7917    0.0004 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6702   -0.3030    0.0004 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1085   -0.2634   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3066   -0.1985   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1177   -0.9281   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1460    1.1309   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2690    1.1959   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0428    1.8606   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5853   -0.8912   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1371   -2.4077    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2062   -2.0095    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1826    1.7848   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0279    2.9473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5530   -1.9940   -0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6477   -2.7702   -0.9105 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6479   -2.7701    0.9106 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1516   -2.8203    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1681    2.7496    0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 11  1  0  0  0  0
  2  7  1  0  0  0  0
  2 19  1  0  0  0  0
  3 10  2  0  0  0  0
  4  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  6 12  1  0  0  0  0
  7  9  1  0  0  0  0
  8  9  2  0  0  0  0
  8 13  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
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
M  END
$$$$

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2023-08-09, 2334👍, 0💬