898794-90-6
4'-CYANO-3-(2,5-DIMETHYLPHENYL)PROPIOPHENONE
Name4'-CYANO-3-(2,5-DIMETHYLPHENYL)PROPIOPHENONE
1Identification
【Name】
4'-CYANO-3-(2,5-DIMETHYLPHENYL)PROPIOPHENONE
【CAS】
【MDL】
MFCD03843720
【English Synonyms】
【Formula】
C18 H17 N O
【MolWeight】
263.338
【Inchi】
InChI=1S/C18H17NO/c1-13-3-4-14(2)17(11-13)9-10-18(20)16-7-5-15(12-19)6-8-16/h3-8,11H,9-10H2,1-2H3
【InChIKey】
InChIKey=NMZSPIWWJPQPFH-UHFFFAOYSA-N
【SMILES】
Cc1ccc(c(c1)CCC(=O)c2ccc(cc2)C#N)C
【MOL File】
4'-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
4'-CYANO-3-(2,5-DIMETHYLPHENYL)PROPIOPHENONE.cml