Molecule FYI-1007140

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A

Molecule Summary:

ID: FYI-1007140
Names:
InChIKey: GWYFCOCPABKNJV-UHFFFAOYSA-N
SMILES: CC(C)CC(=O)O

Received at FYIcenter.com on: 2024-02-02

Molecule ID: FYI-1007140 Edit

Molecule Structure InChIKey: GWYFCOCPABKNJV-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1007140
FYIcenter.com

  7  6  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
    3.6373    2.1000    0.0000 C   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
    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 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  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  5  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007140-3D
FYIcenter.com

 17 16  0     0  0  0  0  0  0999 V2000
   -1.5764   -0.8043    0.9946 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0917    0.7023   -0.6305 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1977   -0.1330    0.2549 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0376   -0.4874   -0.6882 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1993    1.3697    0.5424 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5472   -0.5476   -0.3373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3138   -0.0997   -0.1360 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0666   -0.6623    1.2068 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0218   -1.5626   -0.9025 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1619    0.0223   -1.6518 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2897    1.6811    1.0657 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2781    1.9527   -0.3817 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0472    1.6389    1.1819 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7415   -0.0313   -1.2836 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3646   -0.3128    0.3526 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5689   -1.6256   -0.5287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4562   -0.5827    1.3675 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 17  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
M  END
$$$$

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2024-02-11, 1180👍, 0💬