Molecule FYI-1006754

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Molecule Summary:

ID: FYI-1006754
Names:
InChIKey: ODHCTXKNWHHXJC-UHFFFAOYSA-N
SMILES: O=C1CCC(C(=O)O)N1

Received at FYIcenter.com on: 2024-01-13

Molecule ID: FYI-1006754 Edit

Molecule Structure InChIKey: ODHCTXKNWHHXJC-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C1CCC(C(=O)O)N1

Download SDF Download SVG Structure in 2D SDF:

FYI-1006754
FYIcenter.com

  9  9  0  0  0  0  0  0  0  0999 V2000
    4.6406    2.9624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    5.0624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1306    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    1.5700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    3.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    3.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2  7  1  0  0  0  0
  3  6  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006754-3D
FYIcenter.com

 16 16  0     1  0  0  0  0  0999 V2000
   -2.6942    0.7797    0.1776 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6708   -0.3940    0.1704 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4229    1.4789    0.5325 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6089    0.5366   -0.8589 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5212   -0.3440   -0.7683 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0326   -1.5725   -0.0722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1968   -1.0409    0.7632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6378    0.1902    0.0101 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5554    0.3659    0.0455 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9066   -0.5426   -1.7722 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6946   -2.1160    0.5384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4251   -2.2708   -0.8225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8676   -0.7425    1.7634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0093   -1.7677    0.8366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6424    1.3527   -1.4621 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3625    0.0551    0.7016 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2  9  1  0  0  0  0
  2 16  1  0  0  0  0
  3  9  2  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
M  END
$$$$

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2024-01-24, 2562👍, 0💬