Bis(acetylacetonyl)calcium

C₅H₇CaO₂⁺CAS 19372-44-2139.19 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₇CaO₂⁺
Molar mass: 139.19 g/mol
Exact mass: 139.0072 Da
logP: -0.01Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

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

Weigh it out

Type any one amount. The others follow from the molar mass.

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

Similar compounds

(T-4)-Bis(2,4-pentanedionato-κO2,κO4)beryllium10210-64-767 % similar Copper(II) acetylacetonate13395-16-967 % similar Vanadium(III) acetylacetonate13476-99-867 % similar Aluminium acetylacetonate13963-57-067 % similar Bis(acetylacetonato)iron(II)14024-17-067 % similar Tris(acetylacetonato)iron(III)14024-18-167 % similar Cobalt(II) acetylacetonate14024-48-767 % similar Magnesium acetylacetonate14024-56-767 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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