| CAS Number | 24772-51-8 |
| Catalog Number | AG002PDT(AGN-PC-0R0JSB) |
| Chemical Name | Aluminum, bis(2-butanolato)[ethyl 3-(oxo-κO)butanoato-κO']-, (T-4)- |
| EC Number | 246-455-0 |
| IUPAC Name | ethyl (Z)-3-di(butan-2-yloxy)alumanyloxybut-2-enoate |
| InChI | InChI=1S/C6H10O3.2C4H9O.Al/c1-3-9-6(8)4-5(2)7;2*1-3-4(2)5;/h4,7H,3H2,1-2H3;2*4H,3H2,1-2H3;/q;2*-1;+3/p-1/b5-4-;;; |
| InChI Key | FNZMQCYGPHUYMI-OAWHIZORSA-M |
| MDL Number | MFCD00084762 |
| Molecular Formula | C14H27AlO5 |
| Molecular Weight | 302.3427 |
| SMILES | O(C1=O[Al+3](O=C([CH-]1)C)([O-]C(C)CC)[O-]C(C)CC)CC |
| Synonyms | Aluminum butan-2-olate (2Z)-4-ethoxy-4-oxobut-2-en-2-olate (1:2:1),
24772-51-8,
Aluminum di(sec-butoxide)acetoacetic ester chelate,
DSSTox_CID_24622,
DSSTox_RID_80357,
DSSTox_GSID_44622,
CHEMBL3188955,
DTXSID8044622,
Tox21_302693,
MFCD00084762,
aluminum dis-butoxide ethylacetoacetate,
NCGC00256714-01,
CAS-24772-51-8,
ALUMINUMDI ACETOACETICESTERCHELATE,
Aluminum, bis(2-butanolato)[ethyl 3-(oxo-.kappa.O)butanoato-.kappa.O']-, (T-4)-,
|
| Complexity | 294 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 302.167g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 302.347g/mol |
| Monoisotopic Mass | 302.167g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 54A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number