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Vinyl Norbornene
CAS: 3048-64-4 | C9H12
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3048-64-4
Molecular Formula:
C9H12
Molecular Mass:
120.19 g/mol
Names and Synonyms:
Vinyl Norbornene
Bicyclo[2.2.1]hept-2-ene, 5-ethenyl-
2-Norbornene, 5-vinyl-
5-Ethenylbicyclo[2.2.1]hept-2-ene
5-Vinyl-2-norbornene
5-Vinylbicyclo[2.2.1]hept-2-ene
5-Vinylnorbornene
2-Vinylbicyclo[2.2.1]hept-5-ene
2-Vinyl-5-norbornene
Vinylnorbornene
2-Vinylnorbornene
VBH
NSC 61529
V 0062
6-Vinylbicyclo[2.2.1]hept-2-ene
Identifiers:
SMILES:
C=CC1CC2C=CC1C2
InChI:
InChI=1S/C9H12/c1-2-8-5-7-3-4-9(8)6-7/h2-4,7-9H,1,5-6H2
Key Properties
Boiling Point
140.4 °C @ Press: 760 Torr
CAS Common Chemistry
Density
0.89 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 | 120.19 g/mol | CAS Common Chemistry |
| 120.19499999999996 g/mol | RDKit | |
| 120.093900384 g/mol | RDKit | |
| Density | 0.89 g/cm³ | CAS Common Chemistry |
| 0.8884 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Vinyl_norbornene | CAS Common Chemistry |
| Boiling Point | 140.4 °C @ Press: 760 Torr | CAS Common Chemistry |
| Canonical SMILES | C=CC1CC2C=CC1C2 | CAS Common Chemistry |
| InChI | InChI=1S/C9H12/c1-2-8-5-7-3-4-9(8)6-7/h2-4,7-9H,1,5-6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=INYHZQLKOKTDAI-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 5-Vinyl-2-norbornene | CAS Common Chemistry |
| Vinyl norbornene | CAS Common Chemistry | |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 2.3846000000000007 | RDKit |
| Molar Refractivity | 39.041000000000004 | RDKit |
