Molecule FYI-1011262

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A

Molecule Summary:

ID: FYI-1011262
Names: PENTYNE;
InChIKey: IBXNCJKFFQIKKY-UHFFFAOYSA-N
SMILES: CCCC#C

Received at FYIcenter.com on: 2024-07-30

Molecule ID: FYI-1011262 Edit

Molecule Names: PENTYNE;

Molecule Structure InChIKey: IBXNCJKFFQIKKY-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCC#C

Download SDF Download SVG Structure in 2D SDF:

FYI-1011262
FYIcenter.com

 13 12  0     0  0  0  0  0  0999 V2000
    5.1350   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5335    0.3199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7365    0.3199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705   -1.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675   -1.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6910   -1.1919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -0.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3110   -0.1181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6550    0.0000 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  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  4  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  3  0  0  0  0
  5 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011262-3D
FYIcenter.com

 13 12  0     0  0  0  0  0  0999 V2000
   -1.0956   -0.5078    0.0121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0886    0.6406    0.0069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5268    0.0051   -0.0121 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2912    0.1357   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4198   -0.2736   -0.0067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9502   -1.1313    0.9030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9319   -1.1560   -0.8577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2428    1.2741    0.8883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2497    1.2723   -0.8745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7152    0.6005   -0.9112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2301   -0.8336   -0.0068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7348    0.6285    0.8634 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4209   -0.6368   -0.0123 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  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  4  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  3  0  0  0  0
  5 13  1  0  0  0  0
M  END
$$$$

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2024-08-06, 959👍, 0💬