Molecule FYI-1000278

Home > Molecule

A

Molecule Summary:

ID: FYI-1000278
SMILES: OC(C)CO

Received at FYIcenter.com on: 2021-03-03

Molecule ID: FYI-1000278 Edit

Molecule Structure SMILES String: OC(C)CO

Download SDF Download SVG Structure in 2D SDF:

FYI-1000278
FYIcenter.com

  4  3  0  0  0  0  0  0  0  0999 V2000
    3.6373    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   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
    0.0000    0.0000    0.0000 S   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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000278-3D
FYIcenter.com

 13 12  0  0  1  0  0  0  0  0999 V2000
    0.9783    0.0688    0.0273 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4103    0.0535    0.0609 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8801   -1.1713    0.8283 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9301    0.0413   -1.3796 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4832    1.2094   -2.0657 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6708    0.1023    0.9513 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7315    0.9726    0.5639 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5145   -2.0923    0.3630 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4902   -1.1604    1.8516 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9765   -1.2134    0.8777 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5500   -0.8242   -1.9305 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0237    0.0274   -1.4061 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5147    1.2136   -1.9525 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
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4  5  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
$$$$

✍: FYIcenter.com

2021-04-17, 2564👍, 0💬