Molecule FYI-1007716

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A

Molecule Summary:

ID: FYI-1007716
Names:
InChIKey: UIUJIQZEACWQSV-UHFFFAOYSA-N
SMILES: O=CCCC(=O)O

Received at FYIcenter.com on: 2024-03-14

Molecule ID: FYI-1007716 Edit

Molecule Structure InChIKey: UIUJIQZEACWQSV-UHFFFAOYSA-N

Molecule Structure SMILES String: O=CCCC(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1007716
FYIcenter.com

  7  6  0  0  0  0  0  0  0  0999 V2000
    6.0622    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    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
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  5  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007716-3D
FYIcenter.com

 13 12  0     0  0  0  0  0  0999 V2000
   -2.3144   -1.1245   -0.0232 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9605    1.1181    0.0092 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6719   -0.7789    0.0105 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0541   -0.4005    0.0318 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8647    0.8148   -0.0082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5193   -0.0226    0.0023 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3118    0.3936   -0.0223 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1275   -0.9784    0.9455 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1430   -1.0451   -0.8330 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6780    1.4141   -0.9057 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7038    1.4539    0.8664 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0468    1.2151   -0.0617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2663   -0.8878   -0.0378 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  7  2  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
  7 12  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-03-23, 189👍, 0💬