898757-15-8
4-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)-3'-IODO-4'-METHYLBUTYROPHENONE
Name4-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)-3'-IODO-4'-METHYLBUTYROPHENONE
1Identification
【Name】
4-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)-3'-IODO-4'-METHYLBUTYROPHENONE
【CAS】
【MDL】
MFCD03844363
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C17 H23 I O3
【pro_molWeight】
402.266
【Inchi】
InChI=1S/C17H23IO3/c1-12-7-8-13(9-14(12)18)15(19)5-4-6-16-20-10-17(2,3)11-21-16/h7-9,16H,4-6,10-11H2,1-3H3
【InChIKey】
InChIKey=FLKGBMIRIJSHDF-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1I)C(=O)CCCC2OCC(CO2)(C)C
【MOL File】
4-(5,5-DIMETHYL-1,3-….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:3
XLogP3:5.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
4-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)-3'-IODO-4'-METHYLBUTYROPHENONE.cml