Molecule FYI-1001371

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A

Molecule Summary:

ID: FYI-1001371
SMILES: CN=C(CC)O

Received at FYIcenter.com on: 2022-06-13

Molecule ID: FYI-1001371 Edit

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1001371
FYIcenter.com

 15 14  0  0  0  0  0  0  0  0999 V2000
    2.0216    0.9455   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5643    0.7953    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0371   -0.3825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4620   -0.5371   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1172    0.8455   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8279   -1.4756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4357    0.4716    0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4357    0.4716   -0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2776    2.0050   -0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7707   -1.0855   -0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7707   -1.0855    0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8085    1.3939    0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8085    1.3939   -0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2015    0.7337   -0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3428   -2.3121   -0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  3  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001371-3D
FYIcenter.com

 15 14  0  0  0  0  0  0  0  0999 V2000
    1.1363   -0.1208   -0.1951 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5773   -0.0267   -0.0232 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0297    0.8514    0.7917 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3088    1.8394    1.6591 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0671    1.2782    3.0487 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3622    0.9017    0.9224 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9208   -0.8823   -0.9520 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7069    0.8194   -0.5553 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6398   -0.4294    0.7298 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3627    2.1355    1.1988 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9195    2.7470    1.7307 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4061    0.4066    3.0140 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6009    2.0349    3.6877 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0057    0.9659    3.5191 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7260    0.2278    0.3224 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2  3  2  3  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6 15  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-07-26, 1728👍, 0💬