Cerium(III) acetylacetonate hydrate

Catalog Number	ACM206996614-3
CAS	206996-61-4
Structure
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
Purity	95%+
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
Exact Mass	458.0733
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