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Home > Other Heterocycles > 19717-46-5
19717-46-5 | Bicyclo[2.2.2]octan-2-ol, 2-(4-methylbenzenesulfonate)
CAS No: 19717-46-5 Catalog No: AG002AN1 MDL No:
Product Description
Catalog Number:
AG002AN1
Chemical Name:
Bicyclo[2.2.2]octan-2-ol, 2-(4-methylbenzenesulfonate)
CAS Number:
19717-46-5
Molecular Formula:
C15H22O4S
Molecular Weight:
298.3978
IUPAC Name:
bicyclo[2.2.2]octan-2-ol;4-methylbenzenesulfonic acid
InChI:
InChI=1S/C8H14O.C7H8O3S/c9-8-5-6-1-3-7(8)4-2-6;1-6-2-4-7(5-3-6)11(8,9)10/h6-9H,1-5H2;2-5H,1H3,(H,8,9,10)
InChI Key:
MGFOOXDTQIFBCQ-UHFFFAOYSA-N
SMILES:
OC1CC2CCC1CC2.Cc1ccc(cc1)S(=O)(=O)O
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.124g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
298.397g/mol
Monoisotopic Mass:
298.124g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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