89886-42-0 Purity
96%
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The molecular formula of sodium acetylacetonate hydrate is C5H7NaO2.
The molecular weight of sodium acetylacetonate hydrate is 122.10 g/mol.
The IUPAC name of sodium acetylacetonate hydrate is sodium;(Z)-4-oxopent-2-en-2-olate.
The InChI of sodium acetylacetonate hydrate is InChI=1S/C5H8O2.Na/c1-4(6)3-5(2)7;/h3,6H,1-2H3;/q;+1/p-1/b4-3-.
The InChIKey of sodium acetylacetonate hydrate is AIWZOHBYSFSQGV-LNKPDPKZSA-M.
The canonical SMILES of sodium acetylacetonate hydrate is CC(=CC(=O)C)[O-].[Na+].
The isomeric SMILES of sodium acetylacetonate hydrate is C/C(=C/C(=O)C)/[O-].[Na+].
The hydrogen bond donor count of sodium acetylacetonate hydrate is 0.
The hydrogen bond acceptor count of sodium acetylacetonate hydrate is 2.
The topological polar surface area of sodium acetylacetonate hydrate is 40.1 ?2.