Molecule FYI-1013654

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A

Molecule Summary:

ID: FYI-1013654
Names:
InChIKey: ZGXJTSGNIOSYLO-UHFFFAOYSA-N
SMILES: NCC(=O)CCC(=O)O

Received at FYIcenter.com on: 2025-01-20

Molecule ID: FYI-1013654 Edit

Molecule Structure InChIKey: ZGXJTSGNIOSYLO-UHFFFAOYSA-N

Molecule Structure SMILES String: NCC(=O)CCC(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1013654
FYIcenter.com

  9  8  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
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    0.0000 O   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
    2.4249    0.0000    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
    0.0000    1.4000    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  1  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013654-3D
FYIcenter.com

 18 17  0     0  0  0  0  0  0999 V2000
   -1.6165    1.3592   -0.0077 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4256    0.8315    0.0239 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6632   -1.3070    0.0032 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8695   -0.1251    0.0260 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0608   -0.4875   -0.0242 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0704    0.5375   -0.0203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4491    0.1405   -0.0072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6039   -0.8445    0.0015 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4406   -0.1045    0.0049 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0241   -1.1358    0.8556 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0136   -1.1182   -0.9176 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9816    1.1817    0.8620 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0034    1.1651   -0.9163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5495   -1.4663   -0.8966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5240   -1.4808    0.8874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9332    0.4897   -0.7843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9093    0.4762    0.8479 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3174    0.4230    0.0374 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2  9  1  0  0  0  0
  2 18  1  0  0  0  0
  3  9  2  0  0  0  0
  4  8  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
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6  9  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7  8  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
M  END
$$$$

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2025-02-16, 1114👍, 0💬