Nickel(II) acetylacetonate

Catalog Number	ACM3264822-2
CAS	3264-82-2
Structure
Synonyms	Nickel bis(2,4-pentanedionate)
IUPAC Name	Nickel(2+);(Z)-4-oxopent-2-en-2-olate
Molecular Weight	256.91
Molecular Formula	C10H16NiO4
Canonical SMILES	CC(=CC(=O)C)[O-].CC(=CC(=O)C)[O-].[Ni+2]
InChI	InChI=1S/2C5H8O2.Ni/c2*1-4(6)3-5(2)7;/h2*3,6H,1-2H3;/q;+2/p-2/b2*4-3-;
InChI Key	BMGNSKKZFQMGDH-FDGPNNRMSA-L
Boiling Point	220 °C
Melting Point	230 °C
Flash Point	>200 °C
Purity	95%+
Density	0.145 g/cm³
Solubility	Soluble in water
Appearance	Clear pale yellow liquid
Application	Catalyst for organic reactions.
Storage	Store below +30 °C
Complexity	90.4
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
EC Number	221-875-7
Exact Mass	256.024551
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isomeric SMILES	C/C(=C/C(=O)C)/O.C/C(=C/C(=O)C)/O.[Ni]
Monoisotopic Mass	256.024551
Rotatable Bond Count	2
Topological Polar Surface Area	80.3 Ų

Q&A

What is the PubChem CID for Nickel(II) acetylacetonate?

The PubChem CID for Nickel(II) acetylacetonate is 9834912.

What is the molecular formula of Nickel(II) acetylacetonate?

The molecular formula of Nickel(II) acetylacetonate is C10H14NiO4.

What is the molecular weight of Nickel(II) acetylacetonate?

The molecular weight of Nickel(II) acetylacetonate is 256.91 g/mol.

What are the synonyms for Nickel(II) acetylacetonate?

The synonyms for Nickel(II) acetylacetonate are Nickel acetylacetonate, 3264-82-2, Ni(acac)2, Bis(acetylacetone)nickel.

When was Nickel(II) acetylacetonate created and modified in PubChem?

Nickel(II) acetylacetonate was created on October 25, 2006, and last modified on December 2, 2023.

What is the IUPAC name of Nickel(II) acetylacetonate?

The IUPAC name of Nickel(II) acetylacetonate is nickel(2+);(Z)-4-oxopent-2-en-2-olate.

What is the InChI of Nickel(II) acetylacetonate?

The InChI of Nickel(II) acetylacetonate is InChI=1S/2C5H8O2.Ni/c2*1-4(6)3-5(2)7;/h2*3,6H,1-2H3;/q;;+2/p-2/b2*4-3-.

What is the InChIKey of Nickel(II) acetylacetonate?

The InChIKey of Nickel(II) acetylacetonate is BMGNSKKZFQMGDH-FDGPNNRMSA-L.

What are the other identifiers for Nickel(II) acetylacetonate?

The CAS number for Nickel(II) acetylacetonate is 3264-82-2. It also has an EC number of 221-875-7 and a UNII of 5I48R807JO.

What are some computed properties of Nickel(II) acetylacetonate?

Some computed properties of Nickel(II) acetylacetonate include its molecular weight, hydrogen bond donor count, hydrogen bond acceptor count, rotatable bond count, exact mass, monoisotopic mass, topological polar surface area, heavy atom count, formal charge, complexity, isotope atom count, defined atom stereocenter count, undefined atom stereocenter count, defined bond stereocenter count, undefined bond stereocenter count, covalently-bonded unit count, and whether the compound is canonicalized or not.