Molecule FYI-1006172

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A

Molecule Summary:

ID: FYI-1006172
Names:
InChIKey: IAXKPCNASAJLRO-IZZDOVSWSA-N
SMILES: CC(/N=C/c1ccccc1O)C(=O)O

Received at FYIcenter.com on: 2023-11-29

Molecule ID: FYI-1006172 Edit

Molecule Structure InChIKey: IAXKPCNASAJLRO-IZZDOVSWSA-N

Molecule Structure SMILES String: CC(/N=C/c1ccccc1O)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1006172
FYIcenter.com

 14 14  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 O   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    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    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
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
 12  2  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006172-3D
FYIcenter.com

 25 25  0  0  1  0  0  0  0  0999 V2000
    0.9287    0.0066   -0.2034 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4423   -0.0116   -0.0558 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.0067   -1.3201   -0.4972 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7078   -2.3309    0.2502 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2114   -3.6886   -0.0598 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0963   -3.8621   -1.1328 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5937   -5.1299   -1.4345 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2060   -6.2273   -0.6674 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3229   -6.0599    0.4015 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8291   -4.7904    0.7063 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9685   -4.6317    1.7569 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0510    1.0567   -0.9776 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8186    2.2548   -0.9218 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8915    0.5061   -1.8940 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4520   -0.6899    0.4924 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6281   -0.2769   -1.2175 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5254    1.0049   -0.0026 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667    0.2141    0.9668 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0652   -2.2281    1.1437 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4089   -3.0165   -1.7402 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2819   -5.2576   -2.2658 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5951   -7.2142   -0.9048 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0336   -6.9320    0.9818 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8394   -5.4914    2.1929 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8722   -0.4658   -1.7062 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  1  0  0  0  0
  2 12  1  0  0  0  0
  2 18  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  2  0  0  0  0
  6  7  2  0  0  0  0
  6 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  2  0  0  0  0
  8 22  1  0  0  0  0
  9 10  1  0  0  0  0
  9 23  1  0  0  0  0
 10 11  1  0  0  0  0
 11 24  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 25  1  0  0  0  0
M  END
$$$$

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2023-12-08, 431👍, 0💬