4-(5,5-dimethyl-1,3-dioxan-2-yl)-3'-iodobutyrophenone
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Product Code | F208292 |
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Product Name | 4-(5,5-dimethyl-1,3-dioxan-2-yl)-3'-iodobutyrophenone |
CAS | 898785-56-3 |
Purity | 97.0% |
Molecular weight | 388.245 |
IUPAC Name | 4-(5,5-dimethyl-1,3-dioxan-2-yl)-1-(3-iodophenyl)butan-1-one |
SMILES | CC1(C)COC(CCCC(=O)C2=CC(I)=CC=C2)OC1 |
INCHI Code | InChI=1S/C16H21IO3/c1-16(2)10-19-15(20-11-16)8-4-7-14(18)12-5-3-6-13(17)9-12/h3,5-6,9,15H,4,7-8,10-11H2,1-2H3 |
Asymmetric atoms | 0 |
LogP | 4.16627 |
H bond acceptors | 3 |
H bond donors | 0 |
fsp3 | 0.5625 |
Concept Codes | Phenyl, Ketone, Ether, Acetal, Heterocycle, Iodo, Halo, Methyl, Dimethyl, 6-Membered heterocycle, Monoiodobenzenes, Monosubstituted (meta) monoiodobenzene, Cyclic, Aromatic, 1,3-Dioxane, Dioxane |