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Home > Other Heterocycles > 35963-20-3
35963-20-3 | ((1R,4S)-7,7-Dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonic acid
CAS No: 35963-20-3 Catalog No: AG003R6F MDL No:MFCD00064158
Product Description
Catalog Number:
AG003R6F
Chemical Name:
((1R,4S)-7,7-Dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonic acid
CAS Number:
35963-20-3
Molecular Formula:
C10H16O4S
Molecular Weight:
232.2966
MDL Number:
MFCD00064158
IUPAC Name:
[(1R,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonic acid
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)/t7-,10-/m0/s1
InChI Key:
MIOPJNTWMNEORI-XVKPBYJWSA-N
SMILES:
O=C1C[C@H]2C([C@@]1(CC2)CS(=O)(=O)O)(C)C
EC Number:
252-817-9
UNII:
Y6075I4FXE
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
232.077g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.294g/mol
Monoisotopic Mass:
232.077g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Literature
| Title | Journal |
|---|---|
| 1H,3H-Imidazolium (R,S)-camphor-10-sulfonate. | Acta crystallographica. Section E, Structure reports online 20090201 |
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