898756-76-8
4'-CYANO-4-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)BUTYROPHENONE
Name4'-CYANO-4-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)BUTYROPHENONE
1Identification
【Name】
4'-CYANO-4-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)BUTYROPHENONE
【CAS】
【MDL】
MFCD03844336
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C17 H21 N O3
【pro_molWeight】
287.357
【Inchi】
InChI=1S/C17H21NO3/c1-17(2)11-20-16(21-12-17)5-3-4-15(19)14-8-6-13(10-18)7-9-14/h6-9,16H,3-5,11-12H2,1-2H3
【InChIKey】
InChIKey=CDTSOEKCKVCGCS-UHFFFAOYSA-N
【SMILES】
CC1(COC(OC1)CCCC(=O)c2ccc(cc2)C#N)C
【MOL File】
4'-CYANO-4-(5,5-DIME….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:4
XLogP3:2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
4'-CYANO-4-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)BUTYROPHENONE.cml