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Molecule
1-Vinylnaphthalene
CAS: 826-74-4 · C12H10
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 826-74-4
- Molecular Formula
- C12H10
- Molecular Mass
- 154.21 g/mol
Identifiers
CAS Registry Number
826-74-4
SMILES
C=Cc1cccc2ccccc12
InChI Key
IGGDKDTUCAWDAN-UHFFFAOYSA-N
InChI
InChI=1S/C12H10/c1-2-10-7-5-8-11-6-3-4-9-12(10)11/h2-9H,1H2
Names and Synonyms
- 1-Vinylnaphthalene Synonym
- Naphthalene, 1-ethenyl- Synonym
- Naphthalene, 1-vinyl- Synonym
- 1-Ethenylnaphthalene Synonym
- α-Vinylnaphthalene Synonym
- 1-Vinylnaphthalene Synonym
- (Naphthalen-1-yl)ethene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 154.21 g/mol | CAS Common Chemistry |
| 154.212 g/mol | RDKit | |
| Density | 1.03 g/cm³ | CAS Common Chemistry |
| 1.034 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Canonical SMILES | C=CC1=CC=CC=2C=CC=CC12 | CAS Common Chemistry |
| InChI | InChI=1S/C12H10/c1-2-10-7-5-8-11-6-3-4-9-12(10)11/h2-9H,1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=IGGDKDTUCAWDAN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 322 °C | CAS Common Chemistry |
| Name | 1-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 |
| 3.4828 | RDKit | |
| Molar Refractivity | 54.03900000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 154.07825032 g/mol | RDKit |
| Boiling Point | 135-138 °C @ 15 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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Quick conversion
MW = 154.21 g/mol; density = 1.030 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H10.
