557796-02-8
DIETHYL 1-BENZYL-3,4-PROPYLENEDIOXYPYRROLE-2,5-DICARBOXYLATE
NameDIETHYL 1-BENZYL-3,4-PROPYLENEDIOXYPYRROLE-2,5-DICARBOXYLATE
1Identification
【Name】
DIETHYL 1-BENZYL-3,4-PROPYLENEDIOXYPYRROLE-2,5-DICARBOXYLATE
【CAS】
【MDL】
MFCD06798073
【English Synonyms】
【Formula】
C20 H23 N O6
【MolWeight】
373.403
【Inchi】
InChI=1S/C20H23NO6/c1-3-24-19(22)15-17-18(27-12-8-11-26-17)16(20(23)25-4-2)21(15)13-14-9-6-5-7-10-14/h5-7,9-10H,3-4,8,11-13H2,1-2H3
【InChIKey】
InChIKey=SXIQPPMHTMYVNU-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1c2c(c(n1Cc3ccccc3)C(=O)OCC)OCCCO2
【MOL File】
DIETHYL 1-BENZYL-3,4….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:7
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
DIETHYL 1-BENZYL-3,4-PROPYLENEDIOXYPYRROLE-2,5-DICARBOXYLATE.cml