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Molecule
Glyceryl Methacrylate
CAS: 5919-74-4 · C7H12O4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 5919-74-4
- Molecular Formula
- C7H12O4
- Molecular Mass
- 160.17 g/mol
Identifiers
CAS Registry Number
5919-74-4
SMILES
C=C(C)C(=O)OCC(O)CO
InChI Key
QRIMLDXJAPZHJE-UHFFFAOYSA-N
InChI
InChI=1S/C7H12O4/c1-5(2)7(10)11-4-6(9)3-8/h6,8-9H,1,3-4H2,2H3
Names and Synonyms
- Glyceryl Methacrylate Synonym
- 2-Propenoic acid, 2-methyl-, 2,3-dihydroxypropyl ester Synonym
- Methacrylic acid, 2,3-dihydroxypropyl ester Synonym
- Methacrylin, 1-mono- Synonym
- 2,3-Dihydroxypropyl methacrylate Synonym
- Glyceryl methacrylate Synonym
- Dihydroxypropyl methacrylate Synonym
- 1-Glycerol methacrylate Synonym
- 2,3-Hydroxypropyl methacrylate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 160.17 g/mol | CAS Common Chemistry |
| 160.16899999999998 g/mol | RDKit | |
| 160.169 g/mol | RDKit | |
| 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 |
| -0.5411 | RDKit | |
| Molar Refractivity | 38.8656 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5714 | RDKit |
| 0.57 | chempirical lib | |
| Exact Mass | 160.073558864 g/mol | RDKit |
| Boiling Point | 115-120 °C @ 1 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
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120
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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.
External Resources
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MW = 160.17 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H12O4.
