Molecule FYI-1014282

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Molecule Summary:

ID: FYI-1014282
Names:
InChIKey: YGHRJJRRZDOVPD-UHFFFAOYSA-N
SMILES: CC(C)CC=O

Received at FYIcenter.com on: 2025-03-22

Molecule ID: FYI-1014282 Edit

Molecule Structure InChIKey: YGHRJJRRZDOVPD-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1014282
FYIcenter.com

  7  6  0  0  0  0  0  0  0  0999 V2000
    1.2124    0.8626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.2626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.1626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4444    0.1906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5084    0.6946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5084    1.8706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7240    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014282-3D
FYIcenter.com

 16 15  0     0  0  0  0  0  0999 V2000
   -2.3077   -0.2931   -0.2786 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1180   -0.0352    0.4266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2817    0.4130    0.8671 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0923   -1.4449   -0.1696 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6849    0.9476   -0.6000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3058    0.4127   -0.2454 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7717   -0.0369    1.3073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2483    1.4259    1.2840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6483   -0.2501    1.6598 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5015   -1.4917   -1.0903 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1082   -1.7772   -0.4098 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6683   -2.1591    0.5441 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6633    1.9726   -0.2153 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1362    0.9236   -1.5469 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7289    0.7010   -0.8229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1172    1.1316   -1.0608 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  7  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6 16  1  0  0  0  0
M  END
$$$$

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2025-04-11, 1219👍, 0💬