898765-10-1
2'-CYANO-2,2-DIMETHYLBUTYROPHENONE
Name2'-CYANO-2,2-DIMETHYLBUTYROPHENONE
1Identification
【Name】
2'-CYANO-2,2-DIMETHYLBUTYROPHENONE
【CAS】
【MDL】
MFCD03841122
【English Synonyms】
【Formula】
C13 H15 N O
【MolWeight】
201.268
【Inchi】
InChI=1S/C13H15NO/c1-4-13(2,3)12(15)11-8-6-5-7-10(11)9-14/h5-8H,4H2,1-3H3
【InChIKey】
InChIKey=YGVNXUHHGVNJFA-UHFFFAOYSA-N
【SMILES】
CCC(C)(C)C(=O)c1ccccc1C#N
【MOL File】
2'-CYANO-2,2-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
2'-CYANO-2,2-DIMETHYLBUTYROPHENONE.cml