Molecule FYI-1004329

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Molecule Summary:

ID: FYI-1004329
Names:
InChIKey: AIDIMUPPUNPUTI-UHFFFAOYSA-N
SMILES: CCC(=O)OC(=O)C(C)=O

Received at FYIcenter.com on: 2023-08-30

Molecule ID: FYI-1004329 Edit

Molecule Structure InChIKey: AIDIMUPPUNPUTI-UHFFFAOYSA-N

Molecule Structure SMILES String: CCC(=O)OC(=O)C(C)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1004329
FYIcenter.com

 10  9  0  0  0  0  0  0  0  0999 V2000
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    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  2  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004329-3D
FYIcenter.com

 18 17  0     0  0  0  0  0  0999 V2000
   -0.1225   -0.3842   -0.0773 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6959    1.2924    0.2321 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9204    1.6613    0.3406 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9199    0.0580   -1.0055 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3737   -0.9929   -0.2265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8138   -0.5205   -0.1306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3878    0.1302    0.0069 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9046    0.4688    0.1050 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1861   -0.2898   -0.0927 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4627   -1.4235    0.8479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1943   -1.4097   -1.2232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1978   -1.7702    0.5247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0238    0.2548   -0.8750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5009   -1.3547   -0.3023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0250   -0.1007    0.8586 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4901   -1.7702    0.7060 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7772   -2.2500    0.6469 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3519   -1.0819    1.8802 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2  7  2  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
 10 18  1  0  0  0  0
M  END
$$$$

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2023-09-07, 2601👍, 0💬