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Phenyl Methacrylate
CAS: 2177-70-0 | C10H10O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2177-70-0
Molecular Formula:
C10H10O2
Molecular Mass:
162.19 g/mol
Names and Synonyms:
Phenyl Methacrylate
2-Propenoic acid, 2-methyl-, phenyl ester
Methacrylic acid, phenyl ester
Phenyl methacrylate
NSC 177877
Acryester PH
Miramer M 1041
Identifiers:
SMILES:
C=C(C)C(=O)Oc1ccccc1
InChI:
InChI=1S/C10H10O2/c1-8(2)10(11)12-9-6-4-3-5-7-9/h3-7H,1H2,2H3
Key Properties
Boiling Point
47-50 °C @ Press: 0.2 Torr
CAS Common Chemistry
Density
1.05 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 | 162.19 g/mol | CAS Common Chemistry |
| 162.188 g/mol | RDKit | |
| 162.06807956 g/mol | RDKit | |
| Density | 1.05 g/cm³ | CAS Common Chemistry |
| 1.0542 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 47-50 °C @ Press: 0.2 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(OC=1C=CC=CC1)C(=C)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H10O2/c1-8(2)10(11)12-9-6-4-3-5-7-9/h3-7H,1H2,2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=QIWKUEJZZCOPFV-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Phenyl methacrylate | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 2.1681 | RDKit |
| Molar Refractivity | 46.89100000000003 | RDKit |
