Molecule FYI-1009129

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Molecule Summary:

ID: FYI-1009129
Names:
InChIKey: JOYRKODLDBILNP-UHFFFAOYSA-N
SMILES: CCOC(N)=O

Received at FYIcenter.com on: 2024-05-01

Molecule ID: FYI-1009129 Edit

Molecule Structure InChIKey: JOYRKODLDBILNP-UHFFFAOYSA-N

Molecule Structure SMILES String: CCOC(N)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1009129
FYIcenter.com

  6  5  0  0  0  0  0  0  0  0999 V2000
    4.8497    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
    2.4249    0.0000    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 N   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  2  0  0  0  0
  6  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009129-3D
FYIcenter.com

 13 12  0     0  0  0  0  0  0999 V2000
   -0.2530    0.4888   -0.0001 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2720   -1.2357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9439    0.9633    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3249   -0.4609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6431    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0052   -0.0386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2549   -1.0901   -0.8943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2549   -1.0901    0.8943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4858   -0.4138    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7199    0.9310    0.8795 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7200    0.9310   -0.8795 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6732    1.9409   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9371    0.7567   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  2  6  2  0  0  0  0
  3  6  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-05-05, 215👍, 0💬