898780-23-9
2'-CYANO-3-(3,5-DIMETHYLPHENYL)PROPIOPHENONE
Name2'-CYANO-3-(3,5-DIMETHYLPHENYL)PROPIOPHENONE
1Identification
【Name】
2'-CYANO-3-(3,5-DIMETHYLPHENYL)PROPIOPHENONE
【CAS】
【MDL】
MFCD03843874
【English Synonyms】
【Formula】
C18 H17 N O
【MolWeight】
263.338
【Inchi】
InChI=1S/C18H17NO/c1-13-9-14(2)11-15(10-13)7-8-18(20)17-6-4-3-5-16(17)12-19/h3-6,9-11H,7-8H2,1-2H3
【InChIKey】
InChIKey=SFIAPBVXEPAHKO-UHFFFAOYSA-N
【SMILES】
Cc1cc(cc(c1)CCC(=O)c2ccccc2C#N)C
【MOL File】
2'-CYANO-3-(3,5-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
2'-CYANO-3-(3,5-DIMETHYLPHENYL)PROPIOPHENONE.cml