96514-79-3
4-METHYL-2-(4-METHYLPHENYL)-3-OXOPENTANENITRILE
Name4-METHYL-2-(4-METHYLPHENYL)-3-OXOPENTANENITRILE
1Identification
【Name】
4-METHYL-2-(4-METHYLPHENYL)-3-OXOPENTANENITRILE
【CAS】
【MDL】
MFCD17225833
【English Synonyms】
【Formula】
C13 H15 N O
【MolWeight】
201.268
【Inchi】
InChI=1S/C13H15NO/c1-9(2)13(15)12(8-14)11-6-4-10(3)5-7-11/h4-7,9,12H,1-3H3
【InChIKey】
InChIKey=FMHIJLLRUXZPRD-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)C(C#N)C(=O)C(C)C
【MOL File】
4-METHYL-2-(4-METHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-METHYL-2-(4-METHYLPHENYL)-3-OXOPENTANENITRILE.cml