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2-Vinylnaphthalene
CAS: 827-54-3 | C12H10
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
827-54-3
Molecular Formula:
C12H10
Molecular Mass:
154.21 g/mol
Names and Synonyms:
2-Vinylnaphthalene
Naphthalene, 2-ethenyl-
Naphthalene, 2-vinyl-
2-Ethenylnaphthalene
2-Vinylnaphthalene
β-Vinylnaphthalene
(2-Naphthyl)ethylene
(2-Naphthyl)ethene
(Naphthalen-2-yl)ethene
Identifiers:
SMILES:
C=Cc1ccc2ccccc2c1
InChI:
InChI=1S/C12H10/c1-2-10-7-8-11-5-3-4-6-12(11)9-10/h2-9H,1H2
Key Properties
Boiling Point
135-137 °C @ Press: 18 Torr
CAS Common Chemistry
Melting Point
66 °C
CAS Common Chemistry
Density
1.05 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 | 154.21 g/mol | CAS Common Chemistry |
| 154.212 g/mol | RDKit | |
| 154.07825032 g/mol | RDKit | |
| Density | 1.05 g/cm³ | CAS Common Chemistry |
| 1.0485 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 135-137 °C @ Press: 18 Torr | CAS Common Chemistry |
| Canonical SMILES | C=CC=1C=CC=2C=CC=CC2C1 | CAS Common Chemistry |
| InChI | InChI=1S/C12H10/c1-2-10-7-8-11-5-3-4-6-12(11)9-10/h2-9H,1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=KXYAVSFOJVUIHT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 66 °C | CAS Common Chemistry |
| Name | 2-Vinylnaphthalene | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.482800000000002 | RDKit |
| Molar Refractivity | 54.03900000000002 | RDKit |
