Molecule FYI-1012928

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A

Molecule Summary:

ID: FYI-1012928
Names:
InChIKey: PPDDDJFBMYJHBK-UHFFFAOYSA-N
SMILES: O=C(O)CCNCCO

Received at FYIcenter.com on: 2024-10-29

Molecule ID: FYI-1012928 Edit

Molecule Structure InChIKey: PPDDDJFBMYJHBK-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)CCNCCO

Download SDF Download SVG Structure in 2D SDF:

FYI-1012928
FYIcenter.com

  9  8  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 O   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  1  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  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012928-3D
FYIcenter.com

 20 19  0     0  0  0  0  0  0999 V2000
   -4.5462    0.4004    0.0240 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8081   -0.7420    0.0246 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8604    1.3270    0.0041 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9861   -0.5308   -0.0177 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2431    0.2524   -0.0121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1556    0.3369   -0.0240 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4592   -0.6690   -0.0169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4341   -0.4850    0.0141 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7511    0.1100    0.0039 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2801    0.9026   -0.8952 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2787    0.8995    0.8734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1607    0.9678   -0.9215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1433    1.0174    0.8369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0107   -1.1380    0.8010 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4525   -1.2939   -0.9175 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4410   -1.3173    0.8671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4849   -1.0997    0.9186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5200   -1.1434   -0.8567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5161    0.9193   -0.7979 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6639   -0.2627    0.0391 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 19  1  0  0  0  0
  2  9  1  0  0  0  0
  2 20  1  0  0  0  0
  3  9  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 14  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  8  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7  9  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
M  END
$$$$

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2024-11-05, 1489👍, 0💬