16006-73-8
1,2-DIPHENYL-3-HYDROXY-4-(3-OXOBUTYL)-3-PYRAZOLIN-5-ONE BENZOATE
Name1,2-DIPHENYL-3-HYDROXY-4-(3-OXOBUTYL)-3-PYRAZOLIN-5-ONE BENZOATE
1Identification
【Name】
1,2-DIPHENYL-3-HYDROXY-4-(3-OXOBUTYL)-3-PYRAZOLIN-5-ONE BENZOATE
【CAS】
【MDL】
MFCD01693216
【English Synonyms】
【Formula】
C26 H22 N2 O4
【MolWeight】
426.47
【Inchi】
InChI=1S/C26H22N2O4/c1-19(29)17-18-23-24(30)27(21-13-7-3-8-14-21)28(22-15-9-4-10-16-22)25(23)32-26(31)20-11-5-2-6-12-20/h2-16H,17-18H2,1H3
【InChIKey】
InChIKey=WLUQXCUDFMPPSW-UHFFFAOYSA-N
【SMILES】
CC(=O)CCc1c(=O)n(n(c1OC(=O)c2ccccc2)c3ccccc3)c4ccccc4
【MOL File】
1,2-DIPHENYL-3-HYDRO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,2-DIPHENYL-3-HYDROXY-4-(3-OXOBUTYL)-3-PYRAZOLIN-5-ONE BENZOATE.cml