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Molecule
Norcamphor
CAS: 497-38-1 · C7H10O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 497-38-1
- Molecular Formula
- C7H10O
- Molecular Mass
- 110.16 g/mol
Identifiers
CAS Registry Number
497-38-1
SMILES
O=C1CC2CCC1C2
InChI Key
KPMKEVXVVHNIEY-UHFFFAOYSA-N
InChI
InChI=1S/C7H10O/c8-7-4-5-1-2-6(7)3-5/h5-6H,1-4H2
Names and Synonyms
- Norcamphor Common Name
- Bicyclo[2.2.1]heptan-2-one Synonym
- 2-Norbornanone Synonym
- Norcamphor Synonym
- 2-Oxonorbornane Synonym
- 2,5-Methanocyclohexanone Synonym
- (±)-2-Norbornanone Synonym
- dl-Norcamphor Synonym
- (±)-Norcamphor Synonym
- Racemic norcamphor Synonym
- NSC 66537 Synonym
- NSC 92359 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 110.16 g/mol | CAS Common Chemistry |
| 110.156 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Norcamphor | CAS Common Chemistry |
| Canonical SMILES | O=C1CC2CCC1C2 | CAS Common Chemistry |
| InChI | InChI=1S/C7H10O/c8-7-4-5-1-2-6(7)3-5/h5-6H,1-4H2 | CAS Common Chemistry |
| InChI Key | InChIKey=KPMKEVXVVHNIEY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 93-94 °C | CAS Common Chemistry |
| Name | Bicyclo[2.2.1]heptan-2-one | CAS Common Chemistry |
| Norcamphor | CAS Common Chemistry | |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 17.07 Ų | RDKit |
| LogP | 1.3755 | RDKit |
| Molar Refractivity | 30.454999999999984 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8571 | RDKit |
| 0.86 | chempirical lib | |
| Exact Mass | 110.07316494 g/mol | RDKit |
| Boiling Point | 68-72 °C @ 12 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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MW = 110.16 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H10O.
