| CAS Number | 14877-41-9 |
| Catalog Number | AG003V6P(AGN-PC-0Q2DHO) |
| Chemical Name | Tris(2,2,6,6-Tetramethyl-3,5-Heptanedionato)Cobalt(Iii) |
| IUPAC Name | cobalt(3+);(Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate |
| InChI | InChI=1S/3C11H20O2.Co/c3*1-10(2,3)8(12)7-9(13)11(4,5)6;/h3*7,12H,1-6H3;/q;;;+3/p-3/b3*8-7-; |
| InChI Key | UJRJNARBHKKZST-LWTKGLMZSA-K |
| MDL Number | MFCD00233617 |
| Molecular Formula | C33H57CoO6 |
| Molecular Weight | 608.7353 |
| SMILES | CC(C)(C1=O[Co+3]23(O=C([CH-]C(C(C)(C)C)=O3)C(C)(C)C)(O=C(C(C)(C)C)[CH-]1)O=C([CH-]C(C(C)(C)C)=O2)C(C)(C)C)C |
| Synonyms | COBALT(III)-DPM,
14877-41-9,
MFCD00233617,
Cobalt tris(2,2,6,6-tetramethyl-3,5-heptanedionate),
|
| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 4 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 3 |
| Exact Mass | 608.349g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 40 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 608.746g/mol |
| Monoisotopic Mass | 608.349g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 120A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
|
6.1
|
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Hazard statements
|
H317-H351
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P201-P202-P261-P272-P280-P302+P352-P308+P313-P363-P403-P501
|
|
UN Code
|
UN 2811
|
Certificate of Analysis
Lot Number