25370-40-5
ETHYL-4-(4-CYANOPHENYL)-4-OXOBUTYRATE
NameETHYL-4-(4-CYANOPHENYL)-4-OXOBUTYRATE
1Identification
【Name】
ETHYL-4-(4-CYANOPHENYL)-4-OXOBUTYRATE
【CAS】
【MDL】
MFCD01320301
【English Synonyms】
【Formula】
C13 H13 N O3
【MolWeight】
231.25
【Inchi】
InChI=1S/C13H13NO3/c1-2-17-13(16)8-7-12(15)11-5-3-10(9-14)4-6-11/h3-6H,2,7-8H2,1H3
【InChIKey】
InChIKey=GNGMXDJQYPWFJI-UHFFFAOYSA-N
【SMILES】
CCOC(=O)CCC(=O)c1ccc(cc1)C#N
【MOL File】
ETHYL-4-(4-CYANOPHEN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL-4-(4-CYANOPHENYL)-4-OXOBUTYRATE.cml