Molecule FYI-1007075

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A

Molecule Summary:

ID: FYI-1007075
Names:
InChIKey: VUAXHMVRKOTJKP-UHFFFAOYSA-N
SMILES: CCC(C)(C)C(=O)O

Received at FYIcenter.com on: 2024-01-29

Molecule ID: FYI-1007075 Edit

Molecule Structure InChIKey: VUAXHMVRKOTJKP-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1007075
FYIcenter.com

  8  7  0  0  0  0  0  0  0  0999 V2000
    4.8498    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    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  3  1  0  0  0  0
  5  3  1  0  0  0  0
  6  3  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007075-3D
FYIcenter.com

 20 19  0     0  0  0  0  0  0999 V2000
    1.4398   -0.8051    1.1068 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5473   -0.6232   -1.1411 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2417    0.5737    0.0270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3939   -0.2400    0.6670 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1335    1.7754    0.9179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6135    1.1119   -1.3649 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9907   -0.3385   -0.0868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8623   -1.4542   -0.1259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0974   -0.5821    1.6671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2567    0.4218    0.8178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6939    2.4908    0.9818 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3769    1.4587    1.9384 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0100    2.3026    0.5237 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1894    1.7356   -1.7754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5226    1.7217   -1.3207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7842    0.3033   -2.0836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6473   -1.9794    0.4282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2824   -1.1640   -1.0932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0469   -2.1627   -0.2986 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2297   -1.3771    1.0018 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 20  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  7  1  0  0  0  0
  4  8  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
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
M  END
$$$$

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2024-02-11, 214👍, 0💬