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1-Vinylnaphthalene
CAS: 826-74-4 | C12H10
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
826-74-4
Molecular Formula:
C12H10
Molecular Weight:
154.212 g/mol
Names and Synonyms:
1-Vinylnaphthalene
Naphthalene, 1-ethenyl-
Naphthalene, 1-vinyl-
1-Ethenylnaphthalene
α-Vinylnaphthalene
1-Vinylnaphthalene
(Naphthalen-1-yl)ethene
Identifiers:
SMILES:
C=Cc1cccc2ccccc12
InChI:
InChI=1S/C12H10/c1-2-10-7-5-8-11-6-3-4-9-12(10)11/h2-9H,1H2
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
| Category | Property | Value | Source |
|---|---|---|---|
| Molecular | Molecular Weight | 154.212 g/mol | RDKit |
| Exact | Exact Molecular Weight | 154.07825032 g/mol | RDKit |
| Heavy | Heavy Atom Count | 12 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit | |
| Rotatable | Rotatable Bonds | 1 count | RDKit |
| Aromatic | Aromatic Ring Count | 2 count | RDKit |
| Topological | Topological Polar Surface Area | 0.0 Ų | RDKit |
| Physical Properties | LogP | 3.482800000000002 | RDKit |
| molecular_mass | 154.21 g/mol | Legacy Database | |
| density | 1.03 g/cm³ | Legacy Database | |
| cas-boiling-point | 135-138 °C @ Press: 15 Torr | Legacy Database | |
| cas-canonical-smile | C=CC1=CC=CC=2C=CC=CC12 | Legacy Database | |
| cas-density | 1.034 g/cm3 @ Temp: 20 °C | Legacy Database | |
| cas-inchi | InChI=1S/C12H10/c1-2-10-7-5-8-11-6-3-4-9-12(10)11/h2-9H,1H2 | Legacy Database | |
| cas-inchi-key | InChIKey=IGGDKDTUCAWDAN-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | 322 °C | Legacy Database | |
| cas-name | 1-Vinylnaphthalene | Legacy Database | |
| Molar | Molar Refractivity | 54.03900000000003 | RDKit |
