74974-61-1 Purity
99%
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Specification
The molecular formula is C16H27AlO7.
It was created on 2016-04-07 and modified on 2023-12-30.
The IUPAC Name is ethyl (Z)-3-[butan-2-yloxy-[(Z)-4-ethoxy-4-oxobut-2-en-2-yl]oxyalumanyl]oxybut-2-enoate.
The InChI is InChI=1S/2C6H10O3.C4H9O.Al/c2*1-3-9-6(8)4-5(2)7;1-3-4(2)5;/h2*4,7H,3H2,1-2H3;4H,3H2,1-2H3;/q;;-1;+3/p-2/b2*5-4-;;
The Canonical SMILES is CCC(C)O[Al](OC(=CC(=O)OCC)C)OC(=CC(=O)OCC)C.
The molecular weight is 358.36 g/mol.
It has 0 hydrogen bond donor counts.
The topological polar surface area is 80.3 Å2.
It has 13 rotatable bond counts.
Yes, the compound is canonicalized.
Please kindly note that our products are for research use only.
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