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Molecule
Allyl Methacrylate
CAS: 96-05-9 · C7H10O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 96-05-9
- Molecular Formula
- C7H10O2
- Molecular Mass
- 126.15 g/mol
Identifiers
CAS Registry Number
96-05-9
SMILES
C=CCOC(=O)C(=C)C
InChI Key
FBCQUCJYYPMKRO-UHFFFAOYSA-N
InChI
InChI=1S/C7H10O2/c1-4-5-9-7(8)6(2)3/h4H,1-2,5H2,3H3
Names and Synonyms
- Allyl Methacrylate Common Name
- 2-Propenoic acid, 2-methyl-, 2-propen-1-yl ester Synonym
- Methacrylic acid, allyl ester Synonym
- 2-Propenoic acid, 2-methyl-, 2-propenyl ester Synonym
- Allyl alcohol, methacrylate Synonym
- Allyl methacrylate Synonym
- NSC 18597 Synonym
- 2-Methyl-2-propenoic acid 2-propenyl ester Synonym
- Acryester A Synonym
- 3-Methacryloyloxypropylene Synonym
- Visiomer AMA Synonym
- AMA Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 126.15 g/mol | CAS Common Chemistry |
| 126.15499999999999 g/mol | RDKit | |
| 126.155 g/mol | RDKit | |
| Density | 0.93 g/cm³ | CAS Common Chemistry |
| 0.927 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Canonical SMILES | O=C(OCC=C)C(=C)C | CAS Common Chemistry |
| InChI | InChI=1S/C7H10O2/c1-4-5-9-7(8)6(2)3/h4H,1-2,5H2,3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=FBCQUCJYYPMKRO-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Allyl methacrylate | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 1.2917 | RDKit |
| 1.38 | chempirical lib | |
| Molar Refractivity | 35.97 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2857 | RDKit |
| 0.29 | chempirical lib | |
| Exact Mass | 126.06807956 g/mol | RDKit |
| Boiling Point | 60 °C @ 43 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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0 ppm
| Shift (ppm) | DEPT | Assignment |
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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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Quick conversion
MW = 126.15 g/mol; density = 0.930 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H10O2.
