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4-Phenoxystyrene
CAS: 4973-29-9 | C14H12O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4973-29-9
Molecular Formula:
C14H12O
Molecular Mass:
196.25 g/mol
Names and Synonyms:
4-Phenoxystyrene
Benzene, 1-ethenyl-4-phenoxy-
Ether, phenyl p-vinylphenyl
1-Ethenyl-4-phenoxybenzene
(4-Vinylphenoxy)benzene
4-Vinyldiphenyl ether
4-Phenoxystyrene
p-Phenoxyphenylethylene
p-Phenoxystyrene
4-Phenoxyphenylethylene
NSC 158435
1-Phenoxy-4-vinylbenzene
Identifiers:
SMILES:
C=Cc1ccc(Oc2ccccc2)cc1
InChI:
InChI=1S/C14H12O/c1-2-12-8-10-14(11-9-12)15-13-6-4-3-5-7-13/h2-11H,1H2
Key Properties
Boiling Point
110-112 °C @ Press: 1 Torr
CAS Common Chemistry
Density
1.06 g/cm³
CAS Common Chemistry
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 | 196.25 g/mol | CAS Common Chemistry |
| 196.24900000000002 g/mol | RDKit | |
| 196.088815004 g/mol | RDKit | |
| Density | 1.06 g/cm³ | CAS Common Chemistry |
| 1.060 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 110-112 °C @ Press: 1 Torr | CAS Common Chemistry |
| Canonical SMILES | O(C=1C=CC=CC1)C2=CC=C(C=C)C=C2 | CAS Common Chemistry |
| InChI | InChI=1S/C14H12O/c1-2-12-8-10-14(11-9-12)15-13-6-4-3-5-7-13/h2-11H,1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=UULPGUKSBAXNJN-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 4-Phenoxystyrene | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 4.121900000000003 | RDKit |
| Molar Refractivity | 63.049000000000035 | RDKit |
