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156674-50-9 | 6-Undecanol, 6-(4-methylbenzenesulfonate)
CAS No: 156674-50-9 Catalog No: AG001OWO MDL No:
Product Description
Catalog Number:
AG001OWO
Chemical Name:
6-Undecanol, 6-(4-methylbenzenesulfonate)
CAS Number:
156674-50-9
IUPAC Name:
4-methylbenzenesulfonic acid;undecan-6-ol
InChI:
InChI=1S/C11H24O.C7H8O3S/c1-3-5-7-9-11(12)10-8-6-4-2;1-6-2-4-7(5-3-6)11(8,9)10/h11-12H,3-10H2,1-2H3;2-5H,1H3,(H,8,9,10)
InChI Key:
FNZTVEHUMOPLNO-UHFFFAOYSA-N
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.202g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
344.51g/mol
Monoisotopic Mass:
344.202g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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