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85508-44-7 | Nickel(2+) neodecanoate
CAS No: 85508-44-7 Catalog No: AG004JIW MDL No:
Product Description
Catalog Number:
AG004JIW
Chemical Name:
Nickel(2+) neodecanoate
CAS Number:
85508-44-7
Molecular Formula:
C20H38NiO4
Molecular Weight:
401.2067
IUPAC Name:
7,7-dimethyloctanoate;nickel(2+)
InChI:
InChI=1S/2C10H20O2.Ni/c2*1-10(2,3)8-6-4-5-7-9(11)12;/h2*4-8H2,1-3H3,(H,11,12);/q;;+2/p-2
InChI Key:
VNBCIRBFLBYHCW-UHFFFAOYSA-L
SMILES:
[O-]C(=O)CCCCCC(C)(C)C.[O-]C(=O)CCCCCC(C)(C)C.[Ni+2]
EC Number:
287-469-7
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.212g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
401.213g/mol
Monoisotopic Mass:
400.212g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
80.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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