YTTRIUM ACETYLACETONATE

Iupac Name：4-oxopent-2-en-2-olate;yttrium(3+)

CAS No.: 15554-47-9

Molecular Weight：386.23

Modify Date.: 2022-12-15 02:16

Introduction:

Organic synthesis catalyst

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1. Names and Identifiers

1.1 Name: YTTRIUM ACETYLACETONATE
1.2 Synonyms: 2,4-Pentanedione - yttrium (3:1) 2,4-Pentanedione, yttrium salt (3:1) ACETYLACETONE, YTTRIUM DERIVATIVE ACETYLACETONE,YTTRIUM DERIVATIVE EINECS 239-607-2 tris(pentane-2,4-dionato-O,O')yttrium YTTRIUM ACETYLACETONATE,99. Yttrium tris(acetylacetonate) YTTRIUM(III) 2,4-PENTANEDIONATE YTTRIUM(III) ACETYLACETONATE YTTRIUM-2,4-PENTANEDIONATE YTTRIUM-2,4-PENTANEDIONATE TRIHYDRATE

1.7 Inchi: InChI=1S/3C5H8O2.Y/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/q;;;+3/p-3/b3*4-3-;

1.10 Isomers Smiles: CC(=CC(=O)C)[O-].CC(=CC(=O)C)[O-].CC(=CC(=O)C)[O-].[Y+3]

2. Properties

2.1 Chemical Properties: yellowish white crystal(s) [STR93] YTTRIUM ACETYLACETONATESupplier

3. Safety and Handling

4. NMR Spectrum

5. Other Information

6. Computational chemical data

Molecular Weight: 386.23g/mol
Molecular Formula: C₁₅H₂₁O₆Y
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 386.039652
Monoisotopic Mass: 386.039652
Complexity: 90.4
Rotatable Bond Count: 3
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 6
Topological Polar Surface Area: 120
Heavy Atom Count: 22
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 3
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 4
CACTVS Substructure Key Fingerprint: AAADceBwOAAAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAACASAgAACAAAAAACIAKBSAAAAAAAgIAAACAAAAEgAAAAAAQAAAAAAAAAIAQIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==