52921-22-9
DIETHYL 3-ETHYL-1H-PYRROLE-2,4-DICARBOXYLATE
NameDIETHYL 3-ETHYL-1H-PYRROLE-2,4-DICARBOXYLATE
1Identification
【Name】
DIETHYL 3-ETHYL-1H-PYRROLE-2,4-DICARBOXYLATE
【CAS】
【MDL】
MFCD12756031
【English Synonyms】
【Formula】
C12 H17 N O4
【MolWeight】
239.269
【Inchi】
InChI=1S/C12H17NO4/c1-4-8-9(11(14)16-5-2)7-13-10(8)12(15)17-6-3/h7,13H,4-6H2,1-3H3
【InChIKey】
InChIKey=KCKGICNBLYZXQD-UHFFFAOYSA-N
【SMILES】
CCc1c(c[nH]c1C(=O)OCC)C(=O)OCC
【MOL File】
DIETHYL 3-ETHYL-1H-P….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
DIETHYL 3-ETHYL-1H-PYRROLE-2,4-DICARBOXYLATE.cml