Molecule FYI-1010553

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Molecule Summary:

ID: FYI-1010553
Names:
InChIKey: QNAYBMKLOCPYGJ-UHFFFAOYSA-N
SMILES: CC(N)C(=O)O

Received at FYIcenter.com on: 2024-06-20

Molecule ID: FYI-1010553 Edit

Molecule Structure InChIKey: QNAYBMKLOCPYGJ-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1010553
FYIcenter.com

  6  5  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    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
    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
    2.4249    0.0000    0.0000 N   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  3  1  0  0  0  0
  6  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010553-3D
FYIcenter.com

 13 12  0     1  0  0  0  0  0999 V2000
    1.4573   -1.0438    0.2682 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2492    1.1165   -0.4047 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4105    1.1507    0.1821 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7085   -0.1136    0.3937 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3345   -1.2000   -0.4702 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7470    0.0903    0.0308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7666   -0.3737    1.4558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8580   -2.1695   -0.2878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4023   -1.3127   -0.2521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2248   -0.9797   -1.5384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3916    1.0420    0.4376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4071    1.3875   -0.8099 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4062   -0.9341    0.0447 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 13  1  0  0  0  0
  2  6  2  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-06-30, 140👍, 0💬