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Molecule
Oxazole, 2-Ethenyl-4,5-Dihydro-, Polymer With Ethenylbenzene
CAS: 27341-52-2 · C13H15NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 27341-52-2
- Molecular Formula
- C13H15NO
- Molecular Mass
- 201.27 g/mol
Identifiers
CAS Registry Number
27341-52-2
SMILES
C=CC1=NCCO1.C=Cc1ccccc1
InChI Key
CCLUUWFOQAVFKN-UHFFFAOYSA-N
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
Names and Synonyms
- Oxazole, 2-Ethenyl-4,5-Dihydro-, Polymer With Ethenylbenzene Systematic Name
- Oxazole, 2-ethenyl-4,5-dihydro-, polymer with ethenylbenzene Synonym
- 2-Oxazoline, 2-vinyl-, polymer with styrene Synonym
- Styrene, polymer with 2-vinyl-2-oxazoline Synonym
- Benzene, ethenyl-, polymer with 2-ethenyl-4,5-dihydrooxazole Synonym
- 2-Vinyl-2-oxazoline-styrene copolymer Synonym
- Styrene-2-vinyl-2-oxazoline copolymer Synonym
- XUS 40056.01 Synonym
- Styrene-2-vinyloxazoline copolymer Synonym
- Epocros RPS 005 Synonym
- Epocros K 1010E Synonym
- K 1010E Synonym
- CX-K 1010E Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 201.27 g/mol | CAS Common Chemistry |
| 201.269 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 |
| 2.9307 | RDKit | |
| Molar Refractivity | 64.98400000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1538 | RDKit |
| 0.15 | chempirical lib | |
| Exact Mass | 201.1153641 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 201.27 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C13H15NO.
