Cerium(III) acetylacetonate hydrate

• Catalog Number: ACM206996614-3
• Product Name: Cerium(III) acetylacetonate hydrate
• CAS: 206996-61-4
• Category: Micro/NanoElectronics
• Synonyms: Cerium(III) 2,4-pentanedionate xhydrate
• IUPAC Name: Cerium;(Z)-4-hydroxypent-3-en-2-one;hydrate
• Molecular Weight: 458.48
• Molecular Formula: C15H26CeO7
• Canonical SMILES: CC(=CC(=O)C)O.CC(=CC(=O)C)O.CC(=CC(=O)C)O.O.[Ce]
• InChI: InChI=1S/3C5H8O2.Ce.H₂O/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;1H2/b3*4-3-
• InChI Key: AHGQVCBMBCKNFG-KJVLTGTBSA-N
• Melting Point: 131-132 °C
• Solubility: Insoluble in water
• Appearance: Yellow to red powder
• Storage: Under inert gas (nitrogen or Argon) at 2-8 °C
• Complexity: 380
• Covalently-Bonded Unit Count: 5
• Defined Bond Stereocenter Count: 3
• Exact Mass: 458.0733
• H-Bond Acceptor: 7
• H-Bond Donor: 4
• Heavy Atom Count: 23
• Hydrogen Bond Acceptor Count: 7
• Hydrogen Bond Donor Count: 4
• Isomeric SMILES: C/C(=C/C(=O)C)/O.C/C(=C/C(=O)C)/O.C/C(=C/C(=O)C)/O.O.[Ce]
• Monoisotopic Mass: 458.0733
• Rotatable Bond Count: 3
• Topological Polar Surface Area: 113 Ų