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Norbornene
CAS: 498-66-8 | C7H10
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
498-66-8
Molecular Formula:
C7H10
Molecular Weight:
94.157 g/mol
Names and Synonyms:
Norbornene
Common Name
Norcamphene
Synonym
2-Norbornene
Synonym
Bicyclo[2.2.1]hept-2-ene
Synonym
NSC 22453
Synonym
NSC 120425
Synonym
2-Norbornylene
Synonym
Bicyclo[2.2.1]heptene
Synonym
Norbornene
Synonym
3,6-Endomethylenecyclohexene
Synonym
Norfenchene
Synonym
Norbornylene
Synonym
Identifiers:
SMILES:
C1=CC2CCC1C2
InChI:
InChI=1S/C7H10/c1-2-7-4-3-6(1)5-7/h1-2,6-7H,3-5H2
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
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 0.0 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.9725 | RDKit |
| molecular_mass | 94.16 g/mol | Legacy Database |
| density | 0.88 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Norbornene None | Legacy Database |
| cas-boiling-point | 96 °C None | Legacy Database |
| cas-canonical-smile | C1=CC2CCC1C2 None | Legacy Database |
| cas-density | 0.8789 g/cm3 @ Temp: 13 °C None | Legacy Database |
| cas-inchi | InChI=1S/C7H10/c1-2-7-4-3-6(1)5-7/h1-2,6-7H,3-5H2 None | Legacy Database |
| cas-inchi-key | InChIKey=JFNLZVQOOSMTJK-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 45 °C None | Legacy Database |
| cas-name | Norbornene None | Legacy Database |
| wikipedia-name | Norbornene None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 29.970999999999986 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 94.157 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 94.07825032 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 count | RDKit |