Molecule FYI-1000273

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A

Molecule Summary:

ID: FYI-1000273
SMILES: C1CC(C1)O

Received at FYIcenter.com on: 2021-02-26

Molecule ID: FYI-1000273 Edit

Molecule Structure SMILES String: C1CC(C1)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1000273
FYIcenter.com

  7  7  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  3  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  4  0  0
    1.2125    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  2  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  7  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  6  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  5  0  0
    2.4249    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  1  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000273-3D
FYIcenter.com

 13 13  0  0  0  0  0  0  0  0999 V2000
   -1.4046    0.0497    0.5342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5480    1.0637   -0.2444 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5030   -0.0482   -0.4474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083   -1.0770   -0.1469 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6304   -0.0382    0.4500 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4755    0.0700    0.3155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2612    0.0947    1.6195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2194    1.9311    0.3344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0050    1.4118   -1.1776 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8702   -0.1068   -1.4783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3277   -1.9062    0.5084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0869   -1.4812   -1.0460 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2547    0.0490    1.3428 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  3  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 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
M  END
$$$$

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2021-04-15, 2707👍, 0💬