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Γ-Butyrolactone Methacrylate
CAS: 195000-66-9 | C8H10O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
195000-66-9
Molecular Formula:
C8H10O4
Molecular Mass:
170.16 g/mol
Names and Synonyms:
Γ-Butyrolactone Methacrylate
2-Propenoic acid, 2-methyl-, tetrahydro-2-oxo-3-furanyl ester
α-Methacryloyloxy-γ-butyrolactone
γ-Butyrolactone methacrylate
γ-Butyrolactone-2-yl methacrylate
2-Oxotetrahydrofuran-3-yl methacrylate
GBLMA
α-Methacryloxy-γ-butyrolactone
2-Methacryloyloxy-γ-butyrolactone
2-Oxooxolan-3-yl 2-methylprop-2-enoate
Identifiers:
SMILES:
C=C(C)C(=O)OC1CCOC1=O
InChI:
InChI=1S/C8H10O4/c1-5(2)7(9)12-6-3-4-11-8(6)10/h6H,1,3-4H2,2H3
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 | 170.16 g/mol | CAS Common Chemistry |
| 170.16399999999996 g/mol | RDKit | |
| 170.0579088 g/mol | RDKit | |
| Canonical SMILES | O=C(OC1C(=O)OCC1)C(=C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H10O4/c1-5(2)7(9)12-6-3-4-11-8(6)10/h6H,1,3-4H2,2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=QSUJHKWXLIQKEY-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | γ-Butyrolactone methacrylate | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 52.6 Ų | RDKit |
| LogP | 0.4212 | RDKit |
| Molar Refractivity | 40.27000000000001 | RDKit |
