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Methacryloyloxyethyl Isocyanate
CAS: 30674-80-7 | C7H9NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
30674-80-7
Molecular Formula:
C7H9NO3
Molecular Mass:
155.15 g/mol
Names and Synonyms:
Methacryloyloxyethyl Isocyanate
2-Propenoic acid, 2-methyl-, 2-isocyanatoethyl ester
Methacrylic acid, 2-isocyanatoethyl ester
Isocyanic acid, 2-hydroxyethyl ester methacrylate (ester)
Methacrylic acid β-isocyanatoethyl ester
β-Isocyanatoethyl methacrylate
2-Isocyanatoethyl methacrylate
Karenz MOI
2-(Methacryloyloxy)ethyl isocyanate
2-(Methacryloxy)ethyl isocyanate
2-Isocyanatoethyl 2-methylacrylate
2-Isocyanatoethyl 2-methyl-2-propenoate
Aldrich 477060
Identifiers:
SMILES:
C=C(C)C(=O)OCCN=C=O
InChI:
InChI=1S/C7H9NO3/c1-6(2)7(10)11-4-3-8-5-9/h1,3-4H2,2H3
Key Properties
Boiling Point
87-89 °C @ Press: 10 Torr
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 | 155.15 g/mol | CAS Common Chemistry |
| 155.153 g/mol | RDKit | |
| 155.058243148 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Methacryloyloxyethyl_isocyanate | CAS Common Chemistry |
| Boiling Point | 87-89 °C @ Press: 10 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C=NCCOC(=O)C(=C)C | CAS Common Chemistry |
| InChI | InChI=1S/C7H9NO3/c1-6(2)7(10)11-4-3-8-5-9/h1,3-4H2,2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=RBQRWNWVPQDTJJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Isocyanatoethyl methacrylate | CAS Common Chemistry |
| Methacryloyloxyethyl isocyanate | CAS Common Chemistry | |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 55.73 Ų | RDKit |
| LogP | 0.4415 | RDKit |
| Molar Refractivity | 38.761500000000005 | RDKit |
