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Home > Other Heterocycles > 247078-58-6
247078-58-6 | Bicyclo[2.2.1]heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, 1-methylethyl ester, (1S,4R)-
CAS No: 247078-58-6 Catalog No: AG002P4U MDL No:
Product Description
Catalog Number:
AG002P4U
Chemical Name:
Bicyclo[2.2.1]heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, 1-methylethyl ester, (1S,4R)-
CAS Number:
247078-58-6
Molecular Formula:
C13H22O4S
Molecular Weight:
274.3764
IUPAC Name:
propan-2-yl [(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonate
InChI:
InChI=1S/C13H22O4S/c1-9(2)17-18(15,16)8-13-6-5-10(7-11(13)14)12(13,3)4/h9-10H,5-8H2,1-4H3/t10-,13-/m1/s1
InChI Key:
DEESZEDZRHEUOI-ZWNOBZJWSA-N
SMILES:
CC(OS(=O)(=O)C[C@]12CC[C@@H](C2(C)C)CC1=O)C
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
274.124g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.375g/mol
Monoisotopic Mass:
274.124g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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