Back to Search
Bicyclo[2.2.1]Heptane-2-Carboxylic Acid
CAS: 824-62-4 | C8H12O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
824-62-4
Molecular Formula:
C8H12O2
Molecular Weight:
140.182 g/mol
Names and Synonyms:
Bicyclo[2.2.1]Heptane-2-Carboxylic Acid
Bicyclo[2.2.1]heptane-2-carboxylic acid
2-Norbornanecarboxylic acid
2-Norcamphanecarboxylic acid
Identifiers:
SMILES:
O=C(O)C1CC2CCC1C2
InChI:
InChI=1S/C8H12O2/c9-8(10)7-4-5-1-2-6(7)3-5/h5-7H,1-4H2,(H,9,10)
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 140.182 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 140.083729624 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 37.3 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.5072 | RDKit |
| molecular_mass | 140.18 g/mol | Legacy Database |
| cas-boiling-point | 125-127 °C @ Press: 13 Torr None | Legacy Database |
| cas-canonical-smile | O=C(O)C1CC2CCC1C2 None | Legacy Database |
| cas-inchi | InChI=1S/C8H12O2/c9-8(10)7-4-5-1-2-6(7)3-5/h5-7H,1-4H2,(H,9,10) None | Legacy Database |
| cas-inchi-key | InChIKey=JESWDXIHOJGWBP-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 221-222 °C (sublm) None | Legacy Database |
| cas-name | Bicyclo[2.2.1]heptane-2-carboxylic acid None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 36.5738 | RDKit |
