Molecule FYI-1006933

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A

Molecule Summary:

ID: FYI-1006933
Names:
InChIKey: COJBGNAUUSNXHX-UHFFFAOYSA-N
SMILES: NC(=O)CCC(=O)C(=O)O

Received at FYIcenter.com on: 2024-01-23

Molecule ID: FYI-1006933 Edit

Molecule Structure InChIKey: COJBGNAUUSNXHX-UHFFFAOYSA-N

Molecule Structure SMILES String: NC(=O)CCC(=O)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1006933
FYIcenter.com

 10  9  0  0  0  0  0  0  0  0999 V2000
    4.8497    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0620    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0620    3.5001    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
    0.0000    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    3.5001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  8  2  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  5  1  0  0  0  0
  4  7  2  0  0  0  0
  4  6  1  0  0  0  0
  5 10  2  0  0  0  0
  5  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006933-3D
FYIcenter.com

 17 16  0     0  0  0  0  0  0999 V2000
    1.2898   -1.6499   -0.0024 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7844    1.3631    0.0078 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4882   -0.4120   -0.0111 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3901    1.6027   -0.0247 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7647   -0.7158   -0.0246 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1494    0.3227    0.0307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3608   -0.6047    0.0076 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1597   -0.4350    0.0121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6838    0.1398   -0.0039 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4155    0.3891    0.0085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1749    0.9838   -0.8432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1749    0.9435    0.9334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3225   -1.2470   -0.8810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3440   -1.2622    0.8857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6579   -1.7252   -0.0329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7139   -0.3573   -0.0331 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3288    0.0927   -0.0386 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2  9  2  0  0  0  0
  3 10  1  0  0  0  0
  3 17  1  0  0  0  0
  4 10  2  0  0  0  0
  5  9  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7  9  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
$$$$

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2024-01-31, 1512👍, 0💬