Molecule FYI-1007081

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Molecule Summary:

ID: FYI-1007081
Names: BUTANOIC ACID;
InChIKey: FERIUCNNQQJTOY-UHFFFAOYSA-N
SMILES: CCCC(=O)O

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

Molecule ID: FYI-1007081 Edit

Molecule Names: BUTANOIC ACID;

Molecule Structure InChIKey: FERIUCNNQQJTOY-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCC(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1007081
FYIcenter.com

  6  5  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
    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  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  4  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007081-3D
FYIcenter.com

 14 13  0     0  0  0  0  0  0999 V2000
    2.1010   -0.8632   -0.0201 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2626    1.2475    0.0156 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3963    0.4139   -0.0360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2741   -0.6148    0.0331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7795   -0.2191    0.0069 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0864    0.0358    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3026    1.0038   -0.9561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3052    1.1203    0.7983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3524   -1.1927    0.9603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3466   -1.2984   -0.8199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9224   -0.7828    0.9343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9227   -0.9021   -0.8364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5528    0.5536   -0.0450 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9786   -0.4250   -0.0289 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 14  1  0  0  0  0
  2  6  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  6  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
M  END
$$$$

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2024-02-11, 1062👍, 0💬