Molecule FYI-1004327

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Molecule Summary:

ID: FYI-1004327
Names:
InChIKey: HGERDUGTFUCSDZ-UHFFFAOYSA-N
SMILES: NCCCOC(=O)C=O

Received at FYIcenter.com on: 2023-08-30

Molecule ID: FYI-1004327 Edit

Molecule Structure InChIKey: HGERDUGTFUCSDZ-UHFFFAOYSA-N

Molecule Structure SMILES String: NCCCOC(=O)C=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1004327
FYIcenter.com

  9  8  0  0  0  0  0  0  0  0999 V2000
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004327-3D
FYIcenter.com

 18 17  0  0  0  0  0  0  0  0999 V2000
    1.0876   -0.0020   -0.0350 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5447   -0.0035   -0.0425 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0797   -0.6562    1.2260 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6052   -0.6865    1.2245 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0914   -1.3095    2.4221 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1201   -2.6542    2.4038 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7879   -3.3995    1.4979 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6375   -3.2145    3.7198 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0098   -2.5130    4.6462 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7420    0.4526   -0.8794 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7429    0.5501    0.7495 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9101    1.0258   -0.1244 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8951   -0.5533   -0.9227 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6874   -1.6764    1.3202 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7311   -0.1191    2.1175 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    0.3355    1.2135 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0036   -1.1924    0.3365 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6438   -4.3149    3.7511 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2  3  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3  4  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 18  1  0  0  0  0
M  END
$$$$

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2023-09-07, 835👍, 0💬