Nickel (II) Octanoate

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CAS Number

4995-91-9

Synonyms

Nickel (2+) ; octanoate

Purity

98%

Smiles

CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].[Ni+2]

Chemical Information

Octanoic acid, nickel(2+) salt (2:1)

See also: nickel(II) octanoate (annotation moved to).

CAS Number	4995-91-9
PubChem CID	168988
IUPAC Name	nickel(2+);bis(octanoate)
Molecular Formula	C16H30NiO4
Molecular Weight	345.10
Topological Polar Surface Area	80.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	10
Heavy Atom Count	21
Formal Charge	0
Complexity	83

SMILES

CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].[Ni+2]

InChI

InChI=1S/2C8H16O2.Ni/c2*1-2-3-4-5-6-7-8(9)10;/h2*2-7H2,1H3,(H,9,10);/q;;+2/p-2

InChIKey

DVTHIMLUHWEZOM-UHFFFAOYSA-L

Chemical Structure

2D Structure

CAS: 4995-91-9

CID: 168988

Formula: C16H30NiO4

MW: 345.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	345.10
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	10
Exact Mass	344.149751
Monoisotopic Mass	344.149751
Topological Polar Surface Area	80.3 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	83.7
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	3
Compound Is Canonicalized	Yes

Catalog	Name
OR952683-01	Rhodium (II) Octanoate Dimer
IN13203-01	Nickel (II) Acetate
IN2722	Nickel (II) telluride
IN10559-01	Nickel (II) Sulfide
IN2704-01	Nickel (II) oxide
IN13198-01	Nickel (II) Sulfate
IN11588-01	Nickel (II) Benzenesulfonate
BUP16821	Nickel (II) oxide
IN10557-01	Nickel (II) Phthalocyanine
IN11805-01	Nickel (II) Tetramethoxyphenylporphyrin

Catalog	Name
sc-279916	Nickel (II) octanoate
sc-236670	Rhodium (II) octanoate, dimer
460728-01	Nickel ionophore II
285925-01	Nickel (II) Trifluoromethanesulfonate
285557-01	Nickel (II) chloride
sc-500796A	Nickel (II) thd
MBS5782896	Methylaminoalanine-nickel(II)
sc-236171	Nickel (II) iodide
029314	Nickel (II) Borate
sc-355931	Nickel (II) stearate