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Molecule
Camphorsulfonic Acid
CAS: 5872-08-2 · C10H16O4S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 5872-08-2
- Molecular Formula
- C10H16O4S
- Molecular Mass
- 232.30 g/mol
Identifiers
CAS Registry Number
5872-08-2
SMILES
CC1(C)C2CCC1(CS(=O)(=O)O)C(=O)C2
InChI Key
MIOPJNTWMNEORI-UHFFFAOYSA-N
InChI
InChI=1S/C10H16O4S/c1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h7H,3-6H2,1-2H3,(H,12,13,14)
Names and Synonyms
- Camphorsulfonic Acid Common Name
- Bicyclo[2.2.1]heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo- Synonym
- 10-Bornanesulfonic acid, 2-oxo-, (±)- Synonym
- Bicyclo[2.2.1]heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, (±)- Synonym
- 7,7-Dimethyl-2-oxobicyclo[2.2.1]heptane-1-methanesulfonic acid Synonym
- (±)-Camphor-10-sulfonic acid Synonym
- DL-10-Camphorsulfonic acid Synonym
- (±)-Camphorsulfonic acid Synonym
- (RS)-10-Camphorsulfonic acid Synonym
- 2-Oxo-10-bornanesulfonic acid Synonym
- DL-Camphorsulfonic acid Synonym
- (7,7-Dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonic acid Synonym
- (7,7-Dimethyl-3-oxoniumylidene-4-bicyclo[2.2.1]heptanyl)methanesulfonate Synonym
- (7,7-Dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)methanesulfonic acid Synonym
- Bicyclo[2.2.1]heptane-1-methanesulfonic acid, 4,7,7-trimethyl- Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 232.30 g/mol | CAS Common Chemistry |
| 232.301 g/mol | RDKit | |
| 232.294 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Camphorsulfonic_acid | CAS Common Chemistry |
| Canonical SMILES | O=C1CC2CCC1(CS(=O)(=O)O)C2(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H16O4S/c1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h7H,3-6H2,1-2H3,(H,12,13,14) | CAS Common Chemistry |
| InChI Key | InChIKey=MIOPJNTWMNEORI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 153 °C | CAS Common Chemistry |
| Name | (±)-Camphorsulfonic acid | CAS Common Chemistry |
| Camphorsulfonic acid | CAS Common Chemistry | |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 71.44 Ų | RDKit |
| LogP | 1.2695999999999998 | RDKit |
| 1.2696 | RDKit | |
| Molar Refractivity | 54.97760000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9 | RDKit |
| Exact Mass | 232.076929992 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 = 232.30 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H16O4S.
