14876-47-2
TRIS(2,2,6,6-TETRAMETHYL-3,5-HEPTANEDIONATO)IRON(III)
NameTRIS(2,2,6,6-TETRAMETHYL-3,5-HEPTANEDIONATO)IRON(III)
1Identification
【Name】
TRIS(2,2,6,6-TETRAMETHYL-3,5-HEPTANEDIONATO)IRON(III)
【CAS】
【MDL】
MFCD00067465
【English Synonyms】
【Formula】
C33 H57 Fe O6
【MolWeight】
605.652
【Inchi】
InChI=1S/3C11H20O2.Fe/c3*1-10(2,3)8(12)7-9(13)11(4,5)6;/h3*7,12H,1-6H3;/q;;;+3/p-3/b2*8-7+;8-7-;
【InChIKey】
InChIKey=NXBJVTQWYMSPSJ-GECNZSFWSA-K
【SMILES】
CC(C)(C)/C(=C\C(=O)C(C)(C)C)/O[Fe](O/C(=C/C(=O)C(C)(C)C)/C(C)(C)C)O/C(=C\C(=O)C(C)(C)C)/C(C)(C)C
【MOL File】
TRIS(2,2,6,6-TETRAME….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
TRIS(2,2,6,6-TETRAMETHYL-3,5-HEPTANEDIONATO)IRON(III).cml