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Poly(P-Phenylene Oxide)
CAS: 25134-01-4 | C8H10O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
25134-01-4
Molecular Formula:
C8H10O
Molecular Weight:
122.16699999999999 g/mol
Names and Synonyms:
Poly(P-Phenylene Oxide)
Polymer 20 mb
Poly(2,6-dimethylphenylene oxide)
P 101M
2,6-Dimethyl-1,4-phenylene ether homopolymer
2,6-Dimethyl-1,4-phenylene oxide homopolymer
2,6-Xylenol homopolymer
Poly(2,6-dimethylphenol)
Sorfix
2,6-Dimethylphenol homopolymer
Poly(2,6-dimethyl-1,4-phenylene oxide)
2,6-Dimethylphenylene oxide polymer
2,6-Xylenol polymer
2,6-Dimethylphenol polymer
Poly(2,6-xylenol)
2,6-Xylenol, polymers
Phenol, 2,6-dimethyl-, homopolymer
Identifiers:
SMILES:
Cc1cccc(C)c1O
InChI:
InChI=1S/C8H10O/c1-6-4-3-5-7(2)8(6)9/h3-5,9H,1-2H3
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 122.16699999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 122.07316494 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 20.23 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 2.00904 | RDKit |
| molecular_mass | 122.17 g/mol | Legacy Database |
| density | 1.07 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Poly(p-phenylene_oxide) None | Legacy Database |
| cas-canonical-smile | OC=1C(=CC=CC1C)C None | Legacy Database |
| cas-density | 1.069 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C8H10O/c1-6-4-3-5-7(2)8(6)9/h3-5,9H,1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=NXXYKOUNUYWIHA-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 258-261 °C None | Legacy Database |
| cas-name | 2,6-Xylenol homopolymer None | Legacy Database |
| wikipedia-name | Poly(p-phenylene oxide) None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 37.5808 | RDKit |
