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41706-15-4 | TETRAKIS(2,2,6,6-TETRAMETHYL-3,5-HEPTANEDIONATO)NIOBIUM (IV)
CAS No: 41706-15-4 Catalog No: AG003UPI MDL No:
Product Description
Catalog Number:
AG003UPI
Chemical Name:
TETRAKIS(2,2,6,6-TETRAMETHYL-3,5-HEPTANEDIONATO)NIOBIUM (IV)
CAS Number:
41706-15-4
Molecular Formula:
C55H95Nb2O10+++
Molecular Weight:
1102.1496
IUPAC Name:
(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;(E)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;niobium
InChI:
InChI=1S/4C11H20O2.Nb/c4*1-10(2,3)8(12)7-9(13)11(4,5)6;/h4*7,12H,1-6H3;/b3*8-7+;8-7-;
InChI Key:
WYTIGJVEVROCSD-DSORRXEFSA-N
SMILES:
[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.[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.[Nb+4].[Nb+4]
Properties
Complexity:
1110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
5
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
4
Exact Mass:
829.492g/mol
Formal Charge:
0
Heavy Atom Count:
53
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
830.022g/mol
Monoisotopic Mass:
829.492g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
149A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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