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116507-89-2 | Mercury, bis[3-[(1-cyclohexyl-1-methylethyl)dioxy]-3-methyl-1-butyn-1-yl]-
CAS No: 116507-89-2 Catalog No: AG000CN4 MDL No:
Product Description
Catalog Number:
AG000CN4
Chemical Name:
Mercury, bis[3-[(1-cyclohexyl-1-methylethyl)dioxy]-3-methyl-1-butyn-1-yl]-
CAS Number:
116507-89-2
Molecular Formula:
C28H46HgO4
Molecular Weight:
647.2524
IUPAC Name:
bis[3-(2-cyclohexylpropan-2-ylperoxy)-3-methylbut-1-ynyl]mercury
InChI:
InChI=1S/2C14H23O2.Hg/c2*1-6-13(2,3)15-16-14(4,5)12-10-8-7-9-11-12;/h2*12H,7-11H2,2-5H3;
InChI Key:
AFOUGOJILVOCBF-UHFFFAOYSA-N
SMILES:
CC(C#C[Hg]C#CC(OOC(C1CCCCC1)(C)C)(C)C)(OOC(C1CCCCC1)(C)C)C
Properties
Complexity:
680
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
648.31g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
647.264g/mol
Monoisotopic Mass:
648.31g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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