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4-Vinylanisole
CAS: 637-69-4 | C9H10O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
637-69-4
Molecular Formula:
C9H10O
Molecular Weight:
134.178 g/mol
Names and Synonyms:
4-Vinylanisole
4-Methoxy-1-ethenylbenzene
4-Vinylanisole
4-Methoxystrene
4-Methoxystryrene
p-Methoxylstyrene
4-Methoxyvinylbenzene
NSC 42171
NSC 408326
(4-Methoxyphenyl)ethene
1-Methoxy-4-vinylbenzene
(4-Methoxyphenyl)ethylene
p-Anisylethylene
p-Methoxystyrene
p-Vinylanisole
4-Methoxystyrene
1-Ethenyl-4-methoxybenzene
Anisole, p-vinyl-
Benzene, 1-ethenyl-4-methoxy-
Identifiers:
SMILES:
C=Cc1ccc(OC)cc1
InChI:
InChI=1S/C9H10O/c1-3-8-4-6-9(10-2)7-5-8/h3-7H,1H2,2H3
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 | 134.178 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 134.07316494 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 9.23 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 2.3382000000000005 | RDKit |
| molecular_mass | 134.18 g/mol | Legacy Database |
| density | 1.00 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/4-Vinylanisole None | Legacy Database |
| cas-boiling-point | 205 °C None | Legacy Database |
| cas-canonical-smile | O(C1=CC=C(C=C)C=C1)C None | Legacy Database |
| cas-density | 1.001 g/cm3 @ Temp: 18 °C None | Legacy Database |
| cas-inchi | InChI=1S/C9H10O/c1-3-8-4-6-9(10-2)7-5-8/h3-7H,1H2,2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=UAJRSHJHFRVGMG-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 2 °C None | Legacy Database |
| cas-name | 4-Methoxystyrene None | Legacy Database |
| wikipedia-name | 4-Vinylanisole None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 43.08500000000002 | RDKit |
