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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
Names and Synonyms:
Allyl Methacrylate
2-Propenoic acid, 2-methyl-, 2-propen-1-yl ester
Methacrylic acid, allyl ester
2-Propenoic acid, 2-methyl-, 2-propenyl ester
Allyl alcohol, methacrylate
Allyl methacrylate
NSC 18597
2-Methyl-2-propenoic acid 2-propenyl ester
Acryester A
3-Methacryloyloxypropylene
Visiomer AMA
AMA
Identifiers:
SMILES:
C=CCOC(=O)C(=C)C
InChI:
InChI=1S/C7H10O2/c1-4-5-9-7(8)6(2)3/h4H,1-2,5H2,3H3
Key Properties
Boiling Point
60 °C @ Press: 43 Torr
CAS Common Chemistry
Density
0.93 g/cm³
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 | 126.15 g/mol | CAS Common Chemistry |
| 126.15499999999999 g/mol | RDKit | |
| 126.06807956 g/mol | RDKit | |
| Density | 0.93 g/cm³ | CAS Common Chemistry |
| 0.927 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 60 °C @ Press: 43 Torr | 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 |
| Molar Refractivity | 35.97 | RDKit |
