Molecule FYI-1015852

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A

Molecule Summary:

ID: FYI-1015852
Names:
InChIKey: PVCJKHHOXFKFRP-UHFFFAOYSA-N
SMILES: CC(=O)NCCO

Received at FYIcenter.com on: 2025-10-22

Molecule ID: FYI-1015852 Edit

Molecule Structure InChIKey: PVCJKHHOXFKFRP-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=O)NCCO

Download SDF Download SVG Structure in 2D SDF:

FYI-1015852
FYIcenter.com

  7  6  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 N   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
    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 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015852-3D
FYIcenter.com

 16 15  0     0  0  0  0  0  0999 V2000
    2.4211    0.8660    0.4408 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5448   -1.1647    0.5047 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1529    0.3231   -0.6214 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9712   -0.5645   -0.8134 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9373   -0.4680    0.3566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3169   -0.0577    0.0238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3150    1.0658    0.1088 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4606   -0.2530   -1.7419 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6108   -1.5917   -0.9270 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7917   -1.1339    0.2054 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4570   -0.7254    1.3061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0697    1.2731   -0.9720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2805    0.6763    0.4432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9618    1.8142    0.8236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4463    1.5315   -0.8721 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6548    1.4454    0.5918 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 16  1  0  0  0  0
  2  6  2  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
M  END
$$$$

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2025-10-24, 672👍, 0💬