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Molecule
Methacryloyloxyethyl Isocyanate
CAS: 30674-80-7 · C7H9NO3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 30674-80-7
- Molecular Formula
- C7H9NO3
- Molecular Mass
- 155.15 g/mol
Identifiers
CAS Registry Number
30674-80-7
SMILES
C=C(C)C(=O)OCCN=C=O
InChI Key
RBQRWNWVPQDTJJ-UHFFFAOYSA-N
InChI
InChI=1S/C7H9NO3/c1-6(2)7(10)11-4-3-8-5-9/h1,3-4H2,2H3
Names and Synonyms
- Methacryloyloxyethyl Isocyanate Synonym
- 2-Propenoic acid, 2-methyl-, 2-isocyanatoethyl ester Synonym
- Methacrylic acid, 2-isocyanatoethyl ester Synonym
- Isocyanic acid, 2-hydroxyethyl ester methacrylate (ester) Synonym
- Methacrylic acid β-isocyanatoethyl ester Synonym
- β-Isocyanatoethyl methacrylate Synonym
- 2-Isocyanatoethyl methacrylate Synonym
- Karenz MOI Synonym
- 2-(Methacryloyloxy)ethyl isocyanate Synonym
- 2-(Methacryloxy)ethyl isocyanate Synonym
- 2-Isocyanatoethyl 2-methylacrylate Synonym
- 2-Isocyanatoethyl 2-methyl-2-propenoate Synonym
- Aldrich 477060 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 155.15 g/mol | CAS Common Chemistry |
| 155.153 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Methacryloyloxyethyl_isocyanate | 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 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4286 | RDKit |
| 0.43 | chempirical lib | |
| Exact Mass | 155.058243148 g/mol | RDKit |
| Boiling Point | 87-89 °C @ 10 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
160
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120
100
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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.
External Resources
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MW = 155.15 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H9NO3.
