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2,4-Dimethylstyrene
CAS: 2234-20-0 | C10H12
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2234-20-0
Molecular Formula:
C10H12
Molecular Weight:
132.206 g/mol
Names and Synonyms:
2,4-Dimethylstyrene
NSC 62089
2,4-Dimethyl-1-vinylbenzene
4-Vinyl-m-xylene
1,3-Dimethyl-4-vinylbenzene
1-Vinyl-2,4-dimethylbenzene
2,4-Dimethylstyrene
1-Ethenyl-2,4-dimethylbenzene
Styrene, 2,4-dimethyl-
Benzene, 1-ethenyl-2,4-dimethyl-
Identifiers:
SMILES:
C=Cc1ccc(C)cc1C
InChI:
InChI=1S/C10H12/c1-4-10-6-5-8(2)7-9(10)3/h4-7H,1H2,2-3H3
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 | 132.206 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 132.093900384 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 0.0 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 2.9464400000000017 | RDKit |
| molecular_mass | 132.21 g/mol | Legacy Database |
| density | 0.91 g/cm³ | Legacy Database |
| cas-boiling-point | 81-85 °C @ Press: 14 Torr None | Legacy Database |
| cas-canonical-smile | C=CC1=CC=C(C=C1C)C None | Legacy Database |
| cas-density | 0.905 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C10H12/c1-4-10-6-5-8(2)7-9(10)3/h4-7H,1H2,2-3H3 None | Legacy Database |
| cas-inchi-key | InChIKey=OEVVKKAVYQFQNV-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -64.5--62 °C None | Legacy Database |
| cas-name | 2,4-Dimethylstyrene None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 46.007000000000026 | RDKit |
