Nickel (II) thd

CAT: 0024-sc-500796Size: 10 gDry Ice: NoHazardous: No

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CAT#:0024-sc-500796Size:10 g

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CAS Number

14481-08-4

Chemical Information

Nickel(2+);(E)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate

CAS Number	14481-08-4
PubChem CID	138991738
IUPAC Name	nickel(2+);bis((E)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate)
Molecular Formula	C22H38NiO4
Molecular Weight	425.2
Topological Polar Surface Area	80.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	27
Formal Charge	0
Complexity	199

SMILES

CC(/C(=C\C(=O)C(C)(C)C)/[O-])(C)C.CC(/C(=C\C(=O)C(C)(C)C)/[O-])(C)C.[Ni+2]

InChI

InChI=1S/2C11H20O2.Ni/c2*1-10(2,3)8(12)7-9(13)11(4,5)6;/h2*7,12H,1-6H3;/q;;+2/p-2/b2*8-7+;

InChIKey

PIIJAZNTPALBJL-ORWWTJHYSA-L

Chemical Structure

2D Structure

CAS: 14481-08-4

CID: 138991738

Formula: C22H38NiO4

MW: 425.2

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	425.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	424.212351
Monoisotopic Mass	424.212351
Topological Polar Surface Area	80.3 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	199
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	3
Compound Is Canonicalized	Yes

Catalog	Name
sc-257684	[Magnesium (II) thd]
sc-257113A	[Barium (II) thd]
sc-257113	[Barium (II) thd]
sc-236171	Nickel (II) iodide
sc-355931	Nickel (II) stearate
sc-224168A	Nickel (II) fluoride
sc-269963	Nickel (II) phthalocyanine
sc-228828	Nickel ionophore II
sc-355931A	Nickel (II) stearate
sc-489712	Nickel (II) Dibutyldithiocarbamate

Catalog	Name
285925-01	Nickel (II) Trifluoromethanesulfonate
285557-01	Nickel (II) chloride
460728-01	Nickel ionophore II
MBS5782896	Methylaminoalanine-nickel(II)
IN13203-01	Nickel (II) Acetate
029314	Nickel (II) Borate
IN10559-01	Nickel (II) Sulfide
24215-02	Nickel (II) Acetylacetonate
IN2722	Nickel (II) telluride
IN2704-01	Nickel (II) oxide