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Molecule
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 Mass
- 94.16 g/mol
Identifiers
CAS Registry Number
498-66-8
SMILES
C1=CC2CCC1C2
InChI Key
JFNLZVQOOSMTJK-UHFFFAOYSA-N
InChI
InChI=1S/C7H10/c1-2-7-4-3-6(1)5-7/h1-2,6-7H,3-5H2
Names and Synonyms
- Norbornene Common Name
- Norbornylene Synonym
- Norfenchene Synonym
- 3,6-Endomethylenecyclohexene Synonym
- Norbornene Synonym
- Bicyclo[2.2.1]heptene Synonym
- 2-Norbornylene Synonym
- NSC 120425 Synonym
- NSC 22453 Synonym
- Bicyclo[2.2.1]hept-2-ene Synonym
- 2-Norbornene Synonym
- Norcamphene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 94.16 g/mol | CAS Common Chemistry |
| 94.157 g/mol | RDKit | |
| Density | 0.88 g/cm³ | CAS Common Chemistry |
| 0.8789 g/cm3 @ 13 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Norbornene | CAS Common Chemistry |
| Boiling Point | 96 °C | CAS Common Chemistry |
| Canonical SMILES | C1=CC2CCC1C2 | CAS Common Chemistry |
| InChI | InChI=1S/C7H10/c1-2-7-4-3-6(1)5-7/h1-2,6-7H,3-5H2 | CAS Common Chemistry |
| InChI Key | InChIKey=JFNLZVQOOSMTJK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 45 °C | CAS Common Chemistry |
| Name | Norbornene | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 1.9725 | RDKit |
| 2.13 | chempirical lib | |
| Molar Refractivity | 29.970999999999986 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7143 | RDKit |
| 0.71 | chempirical lib | |
| Exact Mass | 94.07825032 g/mol | RDKit |
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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MW = 94.16 g/mol; density = 0.880 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H10.
