898754-43-3
3'-CYANO-3-(2,6-DIMETHYLPHENYL)PROPIOPHENONE
Name3'-CYANO-3-(2,6-DIMETHYLPHENYL)PROPIOPHENONE
1Identification
【Name】
3'-CYANO-3-(2,6-DIMETHYLPHENYL)PROPIOPHENONE
【CAS】
【MDL】
MFCD03843771
【English Synonyms】
【Formula】
C18 H17 N O
【MolWeight】
263.338
【Inchi】
InChI=1S/C18H17NO/c1-13-5-3-6-14(2)17(13)9-10-18(20)16-8-4-7-15(11-16)12-19/h3-8,11H,9-10H2,1-2H3
【InChIKey】
InChIKey=LHYHAEJLYSHVDI-UHFFFAOYSA-N
【SMILES】
Cc1cccc(c1CCC(=O)c2cccc(c2)C#N)C
【MOL File】
3'-CYANO-3-(2,6-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-(2,6-DIMETHYLPHENYL)PROPIOPHENONE.cml