Molecule FYI-1002487

A

Molecule Summary:

ID: FYI-1002487
Names: 2-HYDROXYETHYL 2-METHYLPROP-2-ENOATE; 2-HYDROXYETHYL METHACRYLATE;
InChIKey: WOBHKFSMXKNTIM-UHFFFAOYSA-N
SMILES: CC(=C)C(=O)OCCO

Received at FYIcenter.com on: 2023-04-04

Molecule ID: FYI-1002487 Edit

Molecule Names: 2-HYDROXYETHYL METHACRYLATE; 2-HYDROXYETHYL 2-METHYLPROP-2-ENOATE;

Molecule Structure InChIKey: WOBHKFSMXKNTIM-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1002487
FYIcenter.com

 19 18  0     0  0  0  0  0  0999 V2000
    5.1350    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4231   -0.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0431    0.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  7  1  0  0  0  0
  2  5  1  0  0  0  0
  2 19  1  0  0  0  0
  3  7  2  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  2  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002487-3D
FYIcenter.com

 19 18  0     0  0  0  0  0  0999 V2000
   -0.4827   -0.0169   -0.1780 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9775   -0.9573    0.6311 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8912    1.7944    0.1825 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6261    0.8445   -0.1801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8730    0.0113   -0.4054 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8057   -0.4208   -0.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7172    0.5957    0.0149 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4841   -1.8683   -0.2221 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0610    0.0175    0.1661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6863    1.3447    0.7934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5256    1.5913   -0.9752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8233   -0.5242   -1.3586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7709    0.6351   -0.3928 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8214   -2.2355    0.5685 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9921   -2.0147   -1.1892 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3839   -2.4929   -0.2131 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8977   -0.6741    0.1589 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2996    1.0644    0.3207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1660   -1.4930    0.6129 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  7  1  0  0  0  0
  2  5  1  0  0  0  0
  2 19  1  0  0  0  0
  3  7  2  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  2  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
M  END
$$$$

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2023-04-26, 1049👍, 0💬