866137-11-3
DIMETHYL 2-[4-(2,5-DIMETHYL-1H-PYRROL-1-YL)PHENYL]MALONATE
NameDIMETHYL 2-[4-(2,5-DIMETHYL-1H-PYRROL-1-YL)PHENYL]MALONATE
1Identification
【Name】
DIMETHYL 2-[4-(2,5-DIMETHYL-1H-PYRROL-1-YL)PHENYL]MALONATE
【CAS】
【MDL】
MFCD03618067
【English Synonyms】
【Formula】
C17 H19 N O4
【MolWeight】
301.34
【Inchi】
InChI=1S/C17H19NO4/c1-11-5-6-12(2)18(11)14-9-7-13(8-10-14)15(16(19)21-3)17(20)22-4/h5-10,15H,1-4H3
【InChIKey】
InChIKey=NGLIISIPZZFUCD-UHFFFAOYSA-N
【SMILES】
Cc1ccc(n1c2ccc(cc2)C(C(=O)OC)C(=O)OC)C
【MOL File】
DIMETHYL 2-[4-(2,5-D….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
DIMETHYL 2-[4-(2,5-DIMETHYL-1H-PYRROL-1-YL)PHENYL]MALONATE.cml