898764-20-0
3'-CYANO-3,3-DIMETHYLBUTYROPHENONE
Name3'-CYANO-3,3-DIMETHYLBUTYROPHENONE
1Identification
【Name】
3'-CYANO-3,3-DIMETHYLBUTYROPHENONE
【CAS】
【MDL】
MFCD03841081
【English Synonyms】
【Formula】
C13 H15 N O
【MolWeight】
201.268
【Inchi】
InChI=1S/C13H15NO/c1-13(2,3)8-12(15)11-6-4-5-10(7-11)9-14/h4-7H,8H2,1-3H3
【InChIKey】
InChIKey=ITTQOQAHLXIANI-UHFFFAOYSA-N
【SMILES】
CC(C)(C)CC(=O)c1cccc(c1)C#N
【MOL File】
3'-CYANO-3,3-DIMETHY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3'-CYANO-3,3-DIMETHYLBUTYROPHENONE.cml