Bis(acetylacetonyl)calcium

C5H7CaO2+CAS 19372-44-2139.19 g/mol

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OCH−OCa2+
Ketone

Properties

Molecular formula
C5H7CaO2+
Molar mass
139.19 g/mol
Exact mass
139.0072 Da
logP
-0.01Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
19372-44-2
SMILES
CC(=O)[CH-]C(C)=O.[Ca+2]
InChIKey
CVKLJNZPNLIMCK-UHFFFAOYSA-N
InChI
InChI=1S/C5H7O2.Ca/c1-4(6)3-5(2)7;/h3H,1-2H3;/q-1;+2

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Names and synonyms

13 names · show all
  • 2,4-Pentanedione, ion(1-), calcium salt (2:1)
  • Calcium, bis(2,4-pentanedionato)-
  • 2,4-Pentanedione, ion(1-), calcium
  • Calcium bis(acetylacetonate)
  • Bisacetylacetonatocalcium
  • Bis(2,4-pentanedionato)calcium
  • Calcium acetylacetonate
  • Bis(acetylacetonate)calcium
  • Acetylacetone calcium salt
  • Bis(2,4-pentadionato)calcium
  • NSC 164941
  • (T-4)-Bis(2,4-pentanedionato-κO2,κO4)calcium
  • Rhodiastab X 77

Work with Bis(acetylacetonyl)calcium

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Aluminium acetylacetonate13963-57-0Salt Tris(acetylacetonato)iron(III)14024-18-1Salt Copper(II) acetylacetonate13395-16-9Salt Tris(acetylacetonato)cobalt(III)21679-46-9Salt Nickel(II) bis(acetylacetonate)3264-82-2Salt Zinc acetylacetonate14024-63-6Salt Chromium(III) acetylacetonate21679-31-2Salt Bis(acetylacetonato)iron(II)14024-17-0Salt Manganese(II) acetylacetonate14024-58-9Salt Cobalt(II) acetylacetonate14024-48-7Salt Magnesium acetylacetonate14024-56-7Salt Tris(acetylacetonato)manganese14284-89-0Salt

Similar compounds

Vanadium(III) acetylacetonate13476-99-867 % similar Palladium(II) bis(acetylacetonate)14024-61-467 % similar Rhodium acetylacetonate14284-92-567 % similar Ruthenium(III) acetylacetonate14284-93-667 % similar Platinum(II) bis(acetylacetonate)15170-57-767 % similar Iridium acetylacetonate15635-87-767 % similar (SA-8-11''11''1'1'''1'1''')-Tetrakis(2,4-pentanedionato-kappaO2,kappaO4)zirconium17501-44-967 % similar Bis(η2-ethene)(2,4-pentanedionato-κO,κO′)rhodium12082-47-257 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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