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
Defined Bond Stereocenter Count
3
Exact Mass
458.0733
H-Bond Acceptor
7
H-Bond Donor
4
Heavy Atom Count
23
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
