Molecule FYI-1014583

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A

Molecule Summary:

ID: FYI-1014583
Names:
InChIKey: BTCSSZJGUNDROE-UHFFFAOYSA-N
SMILES: NCCCC(=O)O

Received at FYIcenter.com on: 2025-04-29

Molecule ID: FYI-1014583 Edit

Molecule Structure InChIKey: BTCSSZJGUNDROE-UHFFFAOYSA-N

Molecule Structure SMILES String: NCCCC(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1014583
FYIcenter.com

 16 15  0  0  0  0  0  0  0  0999 V2000
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373    5.4124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9373    5.4124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5498    4.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2498    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7249    2.2876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249    2.2876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014583-3D
FYIcenter.com

 16 15  0     0  0  0  0  0  0999 V2000
   -2.7304    0.7113    0.0340 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6893   -1.3065   -0.0235 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3244   -0.3603    0.0278 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8770   -0.2175    0.0236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3425    0.6976   -0.0316 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1933    0.5590   -0.0314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6326   -0.0835    0.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8387   -0.8168    0.9431 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8363   -0.9285   -0.8123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3262    1.2875   -0.9545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3327    1.3780    0.8269 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2528    1.1429   -0.9560 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2567    1.2609    0.8069 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2661   -1.0248   -0.7431 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2696   -0.9161    0.8806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5607    0.1889    0.0430 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 16  1  0  0  0  0
  2  7  2  0  0  0  0
  3  6  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  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  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 12  1  0  0  0  0
  6 13  1  0  0  0  0
M  END
$$$$

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2025-05-12, 1630👍, 0💬