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133350-44-4

133350-44-4 | Mercury, (2-ethylhexanoato-κO)(2-methoxy-2-phenylethyl)-

CAS No: 133350-44-4 Catalog No: AG0014PN MDL No:

Product Description

Catalog Number:
AG0014PN
Chemical Name:
Mercury, (2-ethylhexanoato-κO)(2-methoxy-2-phenylethyl)-
CAS Number:
133350-44-4
Molecular Formula:
C17H28HgO3
Molecular Weight:
480.9924
IUPAC Name:
methoxy(2-phenylethyl)mercury;octanoic acid
InChI:
InChI=1S/C8H16O2.C8H9.CH3O.Hg/c1-2-3-4-5-6-7-8(9)10;1-2-8-6-4-3-5-7-8;1-2;/h2-7H2,1H3,(H,9,10);3-7H,1-2H2;1H3;/q;;-1;+1
InChI Key:
XQSIUEAMBMDZNC-UHFFFAOYSA-N
SMILES:
CO[Hg]CCc1ccccc1.CCCCCCCC(=O)O

Properties

Complexity:
179  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
482.174g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
481g/mol
Monoisotopic Mass:
482.174g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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