Molecule FYI-1004202

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Molecule Summary:

ID: FYI-1004202
Names:
InChIKey: MPCAJMNYNOGXPB-UHFFFAOYSA-N
SMILES: OCC1OCC(O)C(O)C1O

Received at FYIcenter.com on: 2023-08-22

Molecule ID: FYI-1004202 Edit

Molecule Structure InChIKey: MPCAJMNYNOGXPB-UHFFFAOYSA-N

Molecule Structure SMILES String: OCC1OCC(O)C(O)C1O

Download SDF Download SVG Structure in 2D SDF:

FYI-1004202
FYIcenter.com

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.6374    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   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  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  4  1  0  0  0  0
 10  3  1  0  0  0  0
 11  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004202-3D
FYIcenter.com

 23 23  0     1  0  0  0  0  0999 V2000
    0.7831    1.2900    0.3167 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4301   -2.2859   -0.4262 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2475   -1.5122    0.4018 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8152    1.2574   -0.3179 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4301    0.6850   -0.1434 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1141   -1.0473    0.2036 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3017   -0.6240   -0.1951 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1394    0.0115   -0.2175 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5946    0.8057    0.2577 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4760    1.7451   -0.1699 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5380   -0.3254    0.2901 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1509   -1.2116    1.2874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4377   -0.7189   -1.2797 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1876    0.0962   -1.3118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7120    0.8221    1.3481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4374    1.8577   -1.2608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6536    2.7476    0.2348 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8844   -1.2886   -0.0964 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5616   -0.3445    1.3848 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4076   -2.1480   -1.3885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1349   -1.2016    0.1530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9742    2.1617    0.0023 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3123    0.4530    0.1935 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 10  1  0  0  0  0
  2  6  1  0  0  0  0
  2 20  1  0  0  0  0
  3  7  1  0  0  0  0
  3 21  1  0  0  0  0
  4  9  1  0  0  0  0
  4 22  1  0  0  0  0
  5 11  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 12  1  0  0  0  0
  7  9  1  0  0  0  0
  7 13  1  0  0  0  0
  8 11  1  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
 11 18  1  0  0  0  0
 11 19  1  0  0  0  0
M  END
$$$$

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2023-09-10, 1826👍, 0💬