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Glyceryl Methacrylate
CAS: 5919-74-4 | C7H12O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5919-74-4
Molecular Formula:
C7H12O4
Molecular Mass:
160.17 g/mol
Names and Synonyms:
Glyceryl Methacrylate
2-Propenoic acid, 2-methyl-, 2,3-dihydroxypropyl ester
Methacrylic acid, 2,3-dihydroxypropyl ester
Methacrylin, 1-mono-
2,3-Dihydroxypropyl methacrylate
Glyceryl methacrylate
Dihydroxypropyl methacrylate
1-Glycerol methacrylate
2,3-Hydroxypropyl methacrylate
Identifiers:
SMILES:
C=C(C)C(=O)OCC(O)CO
InChI:
InChI=1S/C7H12O4/c1-5(2)7(10)11-4-6(9)3-8/h6,8-9H,1,3-4H2,2H3
Key Properties
Boiling Point
115-120 °C @ Press: 1 Torr
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 160.17 g/mol | CAS Common Chemistry |
| 160.16899999999998 g/mol | RDKit | |
| 160.073558864 g/mol | RDKit | |
| Boiling Point | 115-120 °C @ Press: 1 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(OCC(O)CO)C(=C)C | CAS Common Chemistry |
| InChI | InChI=1S/C7H12O4/c1-5(2)7(10)11-4-6(9)3-8/h6,8-9H,1,3-4H2,2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=QRIMLDXJAPZHJE-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Glyceryl methacrylate | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 66.76 Ų | RDKit |
| LogP | -0.5411000000000001 | RDKit |
| Molar Refractivity | 38.8656 | RDKit |
