Molecule FYI-1002070

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A

Molecule Summary:

ID: FYI-1002070
Names:
InChIKey: LPNBBFKOUUSUDB-UHFFFAOYSA-N
SMILES: Cc1ccc(C(=O)O)cc1

Received at FYIcenter.com on: 2023-01-25

Molecule ID: FYI-1002070 Edit

Molecule Structure InChIKey: LPNBBFKOUUSUDB-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1ccc(C(=O)O)cc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1002070
FYIcenter.com

 10 10  0  0  0  0  0  0  0  0999 V2000
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    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    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002070-3D
FYIcenter.com

 18 18  0     0  0  0  0  0  0999 V2000
   -2.6973   -1.1943   -0.0005 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8604    1.0729    0.0013 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0848   -0.0045   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7047    0.0351   -0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4046    1.2133   -0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3703   -1.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0099    1.2331   -0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0244   -1.1826   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5762   -0.0266    0.0014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1589    0.0560    0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9503    2.1532    0.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8895   -2.1572    0.0026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5012    2.1923   -0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5409   -2.1384    0.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9585   -0.9057   -0.5283 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9855    0.8547   -0.5040 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9502   -0.0461    1.0298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6780   -1.1693   -0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 18  1  0  0  0  0
  2 10  2  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  3  9  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  4 10  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  6  8  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  0  0  0  0
M  END
$$$$

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2023-01-25, 2467👍, 0💬