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Home > Other Heterocycles > 5872-08-2
5872-08-2 | 7,7-Dimethyl-2-oxobicyclo[2.2.1]heptane-1-methanesulfonic acid
CAS No: 5872-08-2 Catalog No: AG0039RR MDL No:MFCD00074827
Product Description
Catalog Number:
AG0039RR
Chemical Name:
7,7-Dimethyl-2-oxobicyclo[2.2.1]heptane-1-methanesulfonic acid
CAS Number:
5872-08-2
Molecular Formula:
C10H16O4S
Molecular Weight:
232.2966
MDL Number:
MFCD00074827
IUPAC Name:
(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)
InChI Key:
MIOPJNTWMNEORI-UHFFFAOYSA-N
SMILES:
O=C1CC2C(C1(CC2)CS(=O)(=O)O)(C)C
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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