898794-88-2
3'-CYANO-3-(2,5-DIMETHYLPHENYL)PROPIOPHENONE
Name3'-CYANO-3-(2,5-DIMETHYLPHENYL)PROPIOPHENONE
1Identification
【Name】
3'-CYANO-3-(2,5-DIMETHYLPHENYL)PROPIOPHENONE
【CAS】
【MDL】
MFCD03843719
【English Synonyms】
【Formula】
C18 H17 N O
【MolWeight】
263.338
【Inchi】
InChI=1S/C18H17NO/c1-13-6-7-14(2)16(10-13)8-9-18(20)17-5-3-4-15(11-17)12-19/h3-7,10-11H,8-9H2,1-2H3
【InChIKey】
InChIKey=SLKIPABONSDONG-UHFFFAOYSA-N
【SMILES】
Cc1ccc(c(c1)CCC(=O)c2cccc(c2)C#N)C
【MOL File】
3'-CYANO-3-(2,5-DIME….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3'-CYANO-3-(2,5-DIMETHYLPHENYL)PROPIOPHENONE.cml