41706-15-4
TETRAKIS(2,2,6,6-TETRAMETHYL-3,5-HEPTANEDIONATO)NIOBIUM(IV)
NameTETRAKIS(2,2,6,6-TETRAMETHYL-3,5-HEPTANEDIONATO)NIOBIUM(IV)
1Identification
【Name】
TETRAKIS(2,2,6,6-TETRAMETHYL-3,5-HEPTANEDIONATO)NIOBIUM(IV)
【CAS】
【MDL】
MFCD00145379
【English Synonyms】
【Formula】
C44 H76 Nb O8
【MolWeight】
825.982
【Inchi】
InChI=1S/4C11H20O2.Nb/c4*1-10(2,3)8(12)7-9(13)11(4,5)6;/h4*7,12H,1-6H3;/q;;;;+4/p-4/b3*8-7+;8-7-;
【InChIKey】
InChIKey=KHHMFQCSVUBNPJ-DSORRXEFSA-J
【SMILES】
CC(C)(C)/C(=C/C(=O)C(C)(C)C)/O[Nb](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)O/C(=C/C(=O)C(C)(C)C)/C(C)(C)C
【MOL File】
TETRAKIS(2,2,6,6-TET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:8
XLogP3:8.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
TETRAKIS(2,2,6,6-TETRAMETHYL-3,5-HEPTANEDIONATO)NIOBIUM(IV).cml