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Molecule
Bicyclo[2.2.1]Heptane-1-Methanesulfonic Acid, 7,7-Dimethyl-2-Oxo-, Sodium Salt (1:1), (1S,4R)-
CAS: 21791-94-6 · C10H16NaO4S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 21791-94-6
- Molecular Formula
- C10H16NaO4S
- Molecular Mass
- 255.29 g/mol
Identifiers
CAS Registry Number
21791-94-6
SMILES
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)O)C(=O)C2.[Na]
InChI Key
RQBIDHXNCXLZRB-YZUKSGEXSA-N
InChI
InChI=1S/C10H16O4S.Na/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);/t7-,10-;/m1./s1
Names and Synonyms
- Bicyclo[2.2.1]Heptane-1-Methanesulfonic Acid, 7,7-Dimethyl-2-Oxo-, Sodium Salt (1:1), (1S,4R)- Synonym
- Bicyclo[2.2.1]heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, sodium salt (1:1), (1S,4R)- Synonym
- 10-Bornanesulfonic acid, 2-oxo-, sodium salt, (+)- Synonym
- Bicyclo[2.2.1]heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, sodium salt, (1S)- Synonym
- Bicyclo[2.2.1]heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, sodium salt, (1S,4R)- Synonym
- Sodium (+)-10-camphorsulfonate Synonym
- Sodium camphorsulfonate Synonym
- d-Camphorsulfonic acid sodium salt Synonym
- Sodium 10-camphorsulfonate Synonym
- (+)-Sodium camphorsulfonate Synonym
- Sodium D-camphor-β-sulfonate Synonym
- (S)-10-Camphorsulfonic acid sodium salt Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 255.29 g/mol | CAS Common Chemistry |
| 255.291 g/mol | RDKit | |
| 256.292 g/mol | chempirical lib | |
| Canonical SMILES | [Na].O=C1CC2CCC1(CS(=O)(=O)O)C2(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H16O4S.Na/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);/t7-,10-;/m1./s1 | CAS Common Chemistry |
| InChI Key | InChIKey=RQBIDHXNCXLZRB-YZUKSGEXSA-N | CAS Common Chemistry |
| Name | Bicyclo[2.2.1]heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, sodium salt (1:1), (1S,4R)- | CAS Common Chemistry |
| Heavy Atom Count | 16 | 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 | 0.8888 | RDKit |
| Molar Refractivity | 60.73160000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9 | RDKit |
| Exact Mass | 255.066699272 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.
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MW = 255.29 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H16NaO4S.
