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7756-49-2 | 9,12-Octadecadienoicacid (9Z,12Z)-, mercury(2+) salt (9CI)
CAS No: 7756-49-2 Catalog No: AG005GSF MDL No:
Product Description
Catalog Number:
AG005GSF
Chemical Name:
9,12-Octadecadienoicacid (9Z,12Z)-, mercury(2+) salt (9CI)
CAS Number:
7756-49-2
Molecular Formula:
C36H62HgO4
Molecular Weight:
759.4651
IUPAC Name:
mercury(2+);(9Z,12Z)-octadeca-9,12-dienoate
InChI:
InChI=1S/2C18H32O2.Hg/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);/q;;+2/p-2/b2*7-6-,10-9-;
InChI Key:
ZIBXQMPQKFKWDT-GRVYQHKQSA-L
SMILES:
CCCCC/C=C\C/C=C\CCCCCCCC(=O)[O-].CCCCC/C=C\C/C=C\CCCCCCCC(=O)[O-].[Hg+2]
EC Number:
231-814-6
UNII:
D6XJR6FG90
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
4
Exact Mass:
760.435g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
759.48g/mol
Monoisotopic Mass:
760.435g/mol
Rotatable Bond Count:
26
Topological Polar Surface Area:
80.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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