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Molecule
2,2′-(1,3-Phenylene)Bis(2-Oxazoline)
CAS: 34052-90-9 · C12H12N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 34052-90-9
- Molecular Formula
- C12H12N2O2
- Molecular Mass
- 216.24 g/mol
Identifiers
CAS Registry Number
34052-90-9
SMILES
c1cc(C2=NCCO2)cc(C2=NCCO2)c1
InChI Key
HMOZDINWBHMBSQ-UHFFFAOYSA-N
InChI
InChI=1S/C12H12N2O2/c1-2-9(11-13-4-6-15-11)8-10(3-1)12-14-5-7-16-12/h1-3,8H,4-7H2
Names and Synonyms
- 2,2′-(1,3-Phenylene)Bis(2-Oxazoline) Synonym
- Oxazole, 2,2′-(1,3-phenylene)bis[4,5-dihydro- Synonym
- 2-Oxazoline, 2,2′-m-phenylenebis- Synonym
- 2,2′-(1,3-Phenylene)bis[4,5-dihydrooxazole] Synonym
- 1,3-Di(2-oxazolin-2-yl)benzene Synonym
- 1,3-Bis(2-oxazolin-2-yl)benzene Synonym
- 2,2′-m-Phenylenebis(2-oxazoline) Synonym
- 2,2′-(1,3-Phenylene)bis(2-oxazoline) Synonym
- 1,3-Phenylenebis-2-oxazoline Synonym
- BOX 210 Synonym
- 1,3-PBO Synonym
- CP Resin A Synonym
- CP Resin 1,3-PBO Synonym
- 1,3-Bis(4,5-dihydro-2-oxazolyl)benzene Synonym
- 1,3-Phenylenebisoxazoline Synonym
- 2,2′-(1,3-Phenylene)dioxazoline Synonym
- Nexamite A 99 Synonym
- 2-[3-(4,5-Dihydro-1,3-oxazol-2-yl)phenyl]-4,5-dihydro-1,3-oxazole Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 216.24 g/mol | CAS Common Chemistry |
| 216.23999999999995 g/mol | RDKit | |
| Canonical SMILES | N1=C(OCC1)C=2C=CC=C(C2)C3=NCCO3 | CAS Common Chemistry |
| InChI | InChI=1S/C12H12N2O2/c1-2-9(11-13-4-6-15-11)8-10(3-1)12-14-5-7-16-12/h1-3,8H,4-7H2 | CAS Common Chemistry |
| InChI Key | InChIKey=HMOZDINWBHMBSQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 138.5 °C | CAS Common Chemistry |
| Name | 2,2′-(1,3-Phenylene)bis(2-oxazoline) | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 43.18000000000001 Ų | RDKit |
| 43.18 Ų | RDKit | |
| LogP | 1.2402 | RDKit |
| 1.22 | chempirical lib | |
| Molar Refractivity | 61.154000000000025 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib | |
| Exact Mass | 216.089877624 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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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 = 216.24 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H12N2O2.
