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Oxazole, 2-Ethenyl-4,5-Dihydro-, Polymer With Ethenylbenzene
CAS: 27341-52-2 | C13H15NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
27341-52-2
Molecular Formula:
C13H15NO
Molecular Mass:
201.27 g/mol
Names and Synonyms:
Oxazole, 2-Ethenyl-4,5-Dihydro-, Polymer With Ethenylbenzene
Oxazole, 2-ethenyl-4,5-dihydro-, polymer with ethenylbenzene
2-Oxazoline, 2-vinyl-, polymer with styrene
Styrene, polymer with 2-vinyl-2-oxazoline
Benzene, ethenyl-, polymer with 2-ethenyl-4,5-dihydrooxazole
2-Vinyl-2-oxazoline-styrene copolymer
Styrene-2-vinyl-2-oxazoline copolymer
XUS 40056.01
Styrene-2-vinyloxazoline copolymer
Epocros RPS 005
Epocros K 1010E
K 1010E
CX-K 1010E
Identifiers:
SMILES:
C=CC1=NCCO1.C=Cc1ccccc1
InChI:
InChI=1S/C8H8.C5H7NO/c1-2-8-6-4-3-5-7-8;1-2-5-6-3-4-7-5/h2-7H,1H2;2H,1,3-4H2
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 | 201.27 g/mol | CAS Common Chemistry |
| 201.269 g/mol | RDKit | |
| 201.1153641 g/mol | RDKit | |
| Canonical SMILES | N1=C(OCC1)C=C.C=CC=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C8H8.C5H7NO/c1-2-8-6-4-3-5-7-8;1-2-5-6-3-4-7-5/h2-7H,1H2;2H,1,3-4H2 | CAS Common Chemistry |
| InChI Key | InChIKey=CCLUUWFOQAVFKN-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Oxazole, 2-ethenyl-4,5-dihydro-, polymer with ethenylbenzene | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 21.59 Ų | RDKit |
| LogP | 2.9307000000000016 | RDKit |
| Molar Refractivity | 64.98400000000004 | RDKit |
