Molecule FYI-1006951

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A

Molecule Summary:

ID: FYI-1006951
Names:
InChIKey: AYGIBSZRMXDJEG-UHFFFAOYSA-N
SMILES: CC1=C(C)C(=O)NC1

Received at FYIcenter.com on: 2024-01-24

Molecule ID: FYI-1006951 Edit

Molecule Structure InChIKey: AYGIBSZRMXDJEG-UHFFFAOYSA-N

Molecule Structure SMILES String: CC1=C(C)C(=O)NC1

Download SDF Download SVG Structure in 2D SDF:

FYI-1006951
FYIcenter.com

 17 17  0  0  0  0  0  0  0  0999 V2000
    5.8702    1.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7855    1.0866    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9093    3.7835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3677    2.1168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6618    3.7835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2034    2.1168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8791    5.2013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6920    5.2013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3751    2.5586    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8244    1.1756    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7855    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7582    5.8401    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2405    6.0804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5711    4.5627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3306    6.0804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8129    5.8401    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  7  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006951-3D
FYIcenter.com

 17 17  0     0  0  0  0  0  0999 V2000
   -2.3344    0.2127    0.0003 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7214   -1.4847    0.0005 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0841   -0.1159   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7087   -1.5628   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0162    0.6970   -0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1794   -0.1789   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5256    0.2583    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0994    2.1743    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0399   -2.0861   -0.9008 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0407   -2.0860    0.9001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3336   -2.2945    0.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0207   -0.1474    0.8886 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6786    1.3406    0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0220   -0.1476   -0.8867 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8757    2.6685    0.0014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6445    2.5127    0.8872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6431    2.5137   -0.8872 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  7  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
M  END
$$$$

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2024-01-31, 221👍, 0💬