Molecule FYI-1002409

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A

Molecule Summary:

ID: FYI-1002409
Names:
InChIKey: AYXYPKUFHZROOJ-UHFFFAOYSA-N
SMILES: CC(C)CC(CN)CC(=O)O

Received at FYIcenter.com on: 2023-03-15

Molecule ID: FYI-1002409 Edit

Molecule Structure InChIKey: AYXYPKUFHZROOJ-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1002409
FYIcenter.com

 11 10  0  0  0  0  0  0  0  0999 V2000
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    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
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  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  5  1  0  0  0  0
 11 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002409-3D
FYIcenter.com

 28 27  0     1  0  0  0  0  0999 V2000
    1.8432    1.5483   -1.1324 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9735    0.8376    0.7101 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0237   -2.5703    0.4458 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0983   -0.5179   -0.4272 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4920   -0.9944    0.0492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5658    0.1005    0.2153 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5844    0.4584    0.5488 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7596   -1.7649   -0.7419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8129    0.8785   -1.0776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1457    1.0678    1.3264 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9302    0.9562    0.0835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2268   -0.0030   -1.3876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4022   -1.5214    1.0075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8784   -1.7300   -0.6690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4990   -0.3944    0.5126 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7070    0.0092    1.5403 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0477    1.3925    0.6610 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7164   -1.4579   -1.1783 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2596   -2.3864   -1.4941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0635    0.1972   -1.8972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9443    1.4719   -1.3798 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6536    1.5693   -0.9495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7187    2.0045    0.9593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5308    0.6071    2.1043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0602    1.3908    1.8438 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6352   -3.3463    0.1945 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1601   -2.9958    0.7784 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7151    1.8701   -1.4466 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 28  1  0  0  0  0
  2 11  2  0  0  0  0
  3  8  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 15  1  0  0  0  0
  7 11  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-13, 1862👍, 0💬