Molecule FYI-1003558

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A

Molecule Summary:

ID: FYI-1003558
Names:
InChIKey: HFPZCAJZSCWRBC-UHFFFAOYSA-N
SMILES: Cc1ccc(C(C)C)cc1

Received at FYIcenter.com on: 2023-07-02

Molecule ID: FYI-1003558 Edit

Molecule Structure InChIKey: HFPZCAJZSCWRBC-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1003558
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 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   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  1  0  0  0  0
 10  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003558-3D
FYIcenter.com

 24 24  0     0  0  0  0  0  0999 V2000
    2.1661   -0.3563    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6826   -0.2034    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8197    0.2415    1.2604 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8198    0.2407   -1.2605 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1127    1.0698   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1350   -1.3334    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0925    0.0827   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2748    1.2129   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5226   -1.1904    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5759    0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4122   -1.4270    0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6950    1.3286    1.3103 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8941    0.0285    1.2732 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3808   -0.1886    2.1675 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3808   -0.1898   -2.1674 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8942    0.0277   -1.2732 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6950    1.3278   -1.3110 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7304    1.9637   -0.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2924   -2.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7070    2.2100   -0.0022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1491   -2.0785   -0.0016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0595   -0.6000    0.5172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8787    1.1515    0.5193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9495    0.2754   -1.0280 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 11  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5  8  1  0  0  0  0
  5 18  1  0  0  0  0
  6  9  2  0  0  0  0
  6 19  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
M  END
$$$$

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2023-07-11, 717👍, 0💬