Bicyclo[2.2.1]heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-,(1R,4S)-


Chemical Name: Bicyclo[2.2.1]heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-,(1R,4S)-
CAS Number: 35963-20-3
Product Number: AG003R6F(AGN-PC-0RBFGH)
Synonyms:
MDL No:
Molecular Formula: C10H16O4S
Molecular Weight: 232.2966

Identification/Properties


Properties
MP:
198 °C (dec.)(lit.)
BP:
344.46°C (rough estimate)
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Stability:
Hygroscopic
Refractive Index:
-21.5 ° (C=5, H2O)
Computed Properties
Molecular Weight:
232.294g/mol
XLogP3:
0.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
232.077g/mol
Monoisotopic Mass:
232.077g/mol
Topological Polar Surface Area:
79.8A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
404
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
2
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
3261
Hazard Statements:
H314
Precautionary Statements:
P501-P260-P264-P280-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P405
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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