57488-08-1
(3,5-DIOXO-1,2-DIPHENYLPYRAZOLIDIN-4-YLIDENE)MALONIC ACID DIETHYL ESTER
Name(3,5-DIOXO-1,2-DIPHENYLPYRAZOLIDIN-4-YLIDENE)MALONIC ACID DIETHYL ESTER
1Identification
【Name】
(3,5-DIOXO-1,2-DIPHENYLPYRAZOLIDIN-4-YLIDENE)MALONIC ACID DIETHYL ESTER
【CAS】
【MDL】
MFCD18974230
【English Synonyms】
【Formula】
C22 H20 N2 O6
【MolWeight】
408.408
【Inchi】
InChI=1S/C22H20N2O6/c1-3-29-21(27)18(22(28)30-4-2)17-19(25)23(15-11-7-5-8-12-15)24(20(17)26)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3
【InChIKey】
InChIKey=HXGHYTBEWMXNTA-UHFFFAOYSA-N
【SMILES】
CCOC(=O)C(=C1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3)C(=O)OCC
【MOL File】
(3,5-DIOXO-1,2-DIPHE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:8
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(3,5-DIOXO-1,2-DIPHENYLPYRAZOLIDIN-4-YLIDENE)MALONIC ACID DIETHYL ESTER.cml