Molecule FYI-1001172

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A

Molecule Summary:

ID: FYI-1001172
SMILES: CC(C)(C)O

Received at FYIcenter.com on: 2022-02-14

Molecule ID: FYI-1001172 Edit

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1001172
FYIcenter.com

  5  4  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 O   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  2  1  0  0  0  0
  5  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001172-3D
FYIcenter.com

 15 14  0  0  0  0  0  0  0  0999 V2000
    0.9850    0.0757    0.0790 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5124    0.0604    0.0542 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0396   -1.3575   -0.1589 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0385    0.9950   -1.0326 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9933    0.5413    1.3103 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5633   -0.2755   -0.8683 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6083    1.0862    0.2743 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6002   -0.5590    0.8859 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7073   -1.7710   -1.1165 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7021   -2.0253    0.6425 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1352   -1.3740   -0.1341 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7055    0.6829   -2.0281 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1342    1.0241   -1.0270 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7011    2.0237   -0.8611 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6605   -0.0514    2.0061 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  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
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5 15  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-04-21, 885👍, 0💬