376395-32-3
DIETHYL 1-BENZYL-3,4-DIHYDROXY-1H-PYRROLE-2,5-DICARBOXYLATE
NameDIETHYL 1-BENZYL-3,4-DIHYDROXY-1H-PYRROLE-2,5-DICARBOXYLATE
1Identification
【Name】
DIETHYL 1-BENZYL-3,4-DIHYDROXY-1H-PYRROLE-2,5-DICARBOXYLATE
【CAS】
【MDL】
MFCD05664246
【English Synonyms】
【Formula】
C17 H19 N O6
【MolWeight】
333.338
【Inchi】
InChI=1S/C17H19NO6/c1-3-23-16(21)12-14(19)15(20)13(17(22)24-4-2)18(12)10-11-8-6-5-7-9-11/h5-9,19-20H,3-4,10H2,1-2H3
【InChIKey】
InChIKey=AXYCCUUFBQELMR-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1c(c(c(n1Cc2ccccc2)C(=O)OCC)O)O
【MOL File】
DIETHYL 1-BENZYL-3,4….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
【WGK Germany】
3
4CML File
DIETHYL 1-BENZYL-3,4-DIHYDROXY-1H-PYRROLE-2,5-DICARBOXYLATE.cml