Molecule FYI-1006404

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Molecule Summary:

ID: FYI-1006404
Names:
InChIKey: UGRXGEHQNPBILJ-UHFFFAOYSA-N
SMILES: C=CC(=O)Oc1ccccc1OC

Received at FYIcenter.com on: 2023-12-14

Molecule ID: FYI-1006404 Edit

Molecule Structure InChIKey: UGRXGEHQNPBILJ-UHFFFAOYSA-N

Molecule Structure SMILES String: C=CC(=O)Oc1ccccc1OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1006404
FYIcenter.com

 13 13  0  0  0  0  0  0  0  0999 V2000
    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    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    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006404-3D
FYIcenter.com

 23 23  0     0  0  0  0  0  0999 V2000
   -0.6882   -1.8959    0.2464 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9512    0.2502    0.9024 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6754    0.3546   -1.3199 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1480   -0.6178    0.1464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3252    0.4595    0.4749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4538   -0.3909   -0.2884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8081    1.7638    0.3685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9368    0.9134   -0.3947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1139    1.9908   -0.0663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5928   -2.9401   -0.1084 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8987    0.2173   -0.1271 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2301   -0.0151    0.4735 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3114   -0.0896   -0.3073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1489   -1.1777   -0.5604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1731    2.6079    0.6237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9534    1.0914   -0.7332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4901    3.0063   -0.1489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8762   -2.8868   -1.1651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4630   -2.9633    0.5563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0615   -3.8875    0.0305 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3106   -0.1229    1.5490 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2881   -0.2603    0.1333 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2604    0.0143   -1.3855 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 10  1  0  0  0  0
  2  5  1  0  0  0  0
  2 11  1  0  0  0  0
  3 11  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  5  7  2  0  0  0  0
  6  8  1  0  0  0  0
  6 14  1  0  0  0  0
  7  9  1  0  0  0  0
  7 15  1  0  0  0  0
  8  9  2  0  0  0  0
  8 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 21  1  0  0  0  0
 13 22  1  0  0  0  0
 13 23  1  0  0  0  0
M  END
$$$$

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2024-01-15, 1923👍, 0💬