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bis(3-hydroxy-3-methyl-non-1-ynyl)mercury 5450-64-6 98%
【Name】
bis(3-hydroxy-3-methylnon-1-yn-1-yl)mercury
【Iupac name】
bis(3-hydroxy-3-methylnon-1-ynyl)mercury
【CAS Registry number】
5450-64-6
【Synonyms】
NSC8142
AC1L8T27
NSC-8142
bis(3-hydroxy-3-methylnon-1-ynyl)mercury
5450-64-6
【Molecular Formula】
C20H34HgO2 (Products with the same molecular formula)
【Molecular Weight】
507.0728
【Inchi】
InChI=1/2C10H17O.Hg/c2*1-4-6-7-8-9-10(3,11)5-2;/h2*11H,4,6-9H2,1,3H3;/rC20H34HgO2/c1-5-7-9-11-13-19(3,22)15-17-21-18-16-20(4,23)14-12-10-8-6-2/h22-23H,5-14H2,1-4H3
【Canonical SMILES】
CCCCCCC(C)(C#C[Hg]C#CC(C)(CCCCCC)O)O
【MOL File】
5450-64-6.mol
Chemical and Physical Properties
【Computed Properties】
Molecular Weight:507.07276 [g/mol]
Molecular Formula:C20H34HgO2
H-Bond Donor:2
H-Bond Acceptor:2
Rotatable Bond Count:14
Exact Mass:508.226506
MonoIsotopic Mass:508.226506
Topological Polar Surface Area:40.5
Heavy Atom Count:23
Formal Charge:0
Complexity:405
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
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