| CAS Number | 329735-79-7 |
| Catalog Number | AG00BZDI(AGN-PC-0R8DIE) |
| Chemical Name | BIS(2,2,6,6-TETRAMETHYL-3,5-HEPTANEDIONATO)(1,5-CYCLOOCTADIENE)RUTHENIUM (II) |
| IUPAC Name | cyclooctane;(E)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;ruthenium |
| InChI | InChI=1S/2C11H20O2.C8H12.Ru/c2*1-10(2,3)8(12)7-9(13)11(4,5)6;1-2-4-6-8-7-5-3-1;/h2*7,12H,1-6H3;1-2,7-8H,3-6H2;/b2*8-7+;; |
| InChI Key | QPJRIRWTZWRZLB-COYDWXKQSA-N |
| MDL Number | MFCD01073791 |
| Molecular Formula | C30H46O4Ru |
| Molecular Weight | 571.7538 |
| SMILES | CC(C)(C1=O[Ru+2]2345(O=C([CH-]C(C(C)(C)C)=O5)C(C)(C)C)(O=C(C(C)(C)C)[CH-]1)C6=C2CCC3=C4CC6)C |
| Synonyms | 329735-79-7,
BIS(2,2,6,6-TETRAMETHYL-3,5-HEPTANEDIONATO)(1,5-CYCLOOCTADIENE)RUTHENIUM(II),
MFCD01073791,
SC10300,
bis-(2,2,6,6-Tetramethyl-3,5-heptanedionato)(1,5-cyclooctadiene)ruthenium (II),
BIS RUTHENIUM,
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| Complexity | 537 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 4 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 2 |
| Exact Mass | 578.291g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 35 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 577.812g/mol |
| Monoisotopic Mass | 578.291g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 74.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P280-P301+P312-P302+P352-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number