Bis(2,4-pentanedionato)nickel(II) Hydrate

• Catalog Number: ACM120156447
• Product Name: Bis(2,4-pentanedionato)nickel(II) Hydrate
• CAS: 120156-44-7
• Category: Heterocyclic Organic Compound
• Synonyms: 120156-44-7;NICKEL(II) ACETYLACETONATE HYDRATE;Acetylacetone nickel(II) salt hydrate;MFCD00149058;C10H14NiO4.H₂O;Nickel(ii)acetylacetonate hydrate;5718AF;AKOS025311139
• IUPAC Name: (Z)-4-hydroxypent-3-en-2-one;nickel;hydrate
• Molecular Weight: 276.942g/mol
• Molecular Formula: C10H18NiO5
• Canonical SMILES: CC(=CC(=O)C)O.CC(=CC(=O)C)O.O.[Ni]
• InChI: InChI=1S/2C5H8O2.Ni.H₂O/c2*1-4(6)3-5(2)7;;/h2*3,6H,1-2H3;;1H2/b2*4-3-
• InChI Key: HRNADIRXJROXRG-SUKNRPLKSA-N
• Application: Versatile catalyst for polymerization, dimerization, hydrogenation, oxidation and addition reactions.
• Complexity: 239
• Covalently-Bonded Unit Count: 4
• Defined Bond Stereocenter Count: 2
• Exact Mass: 276.051g/mol
• H-Bond Acceptor: 5
• H-Bond Donor: 3
• Heavy Atom Count: 16
• Monoisotopic Mass: 276.051g/mol
• Rotatable Bond Count: 2
• Topological Polar Surface Area: 75.6A^2

Custom Q&A

What is the molecular formula of Bis(2,4-pentanedionato)nickel(II) Hydrate?

The molecular formula is C10H18NiO5.

What is the molecular weight of Bis(2,4-pentanedionato)nickel(II) Hydrate?

The molecular weight is 276.94 g/mol.

What is the IUPAC name of Bis(2,4-pentanedionato)nickel(II) Hydrate?

The IUPAC name is (Z)-4-hydroxypent-3-en-2-one;nickel;hydrate.

What is the InChI of Bis(2,4-pentanedionato)nickel(II) Hydrate?

The InChI is InChI=1S/2C5H8O2.Ni.H2O/c2*1-4(6)3-5(2)7;;/h2*3,6H,1-2H3;;1H2/b2*4-3-;;

What is the InChIKey of Bis(2,4-pentanedionato)nickel(II) Hydrate?

The InChIKey is HRNADIRXJROXRG-SUKNRPLKSA-N.

What is the canonical SMILES of Bis(2,4-pentanedionato)nickel(II) Hydrate?

The canonical SMILES is CC(=CC(=O)C)O.CC(=CC(=O)C)O.O.[Ni].

How many hydrogen bond donor counts does Bis(2,4-pentanedionato)nickel(II) Hydrate have?

It has 3 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does Bis(2,4-pentanedionato)nickel(II) Hydrate have?

It has 5 hydrogen bond acceptor counts.

How many rotatable bond counts does Bis(2,4-pentanedionato)nickel(II) Hydrate have?

It has 2 rotatable bond counts.

What is the topological polar surface area of Bis(2,4-pentanedionato)nickel(II) Hydrate?

The topological polar surface area is 75.6 ?2.