465514-23-2
METHYL 3-(2,5-DIOXO-2,5-DIHYDRO-1H-PYRROL-1-YL)THIOPHENE-2-CARBOXYLATE
NameMETHYL 3-(2,5-DIOXO-2,5-DIHYDRO-1H-PYRROL-1-YL)THIOPHENE-2-CARBOXYLATE
1Identification
【Name】
METHYL 3-(2,5-DIOXO-2,5-DIHYDRO-1H-PYRROL-1-YL)THIOPHENE-2-CARBOXYLATE
【CAS】
【MDL】
MFCD00112920
【English Synonyms】
【Formula】
C10 H7 N O4 S
【MolWeight】
237.234
【Inchi】
InChI=1S/C10H7NO4S/c1-15-10(14)9-6(4-5-16-9)11-7(12)2-3-8(11)13/h2-5H,1H3
【InChIKey】
InChIKey=HPNPTFJOBHCYCJ-UHFFFAOYSA-N
【SMILES】
COC(=O)c1c(ccs1)N2C(=O)C=CC2=O
【MOL File】
METHYL 3-(2,5-DIOXO-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
METHYL 3-(2,5-DIOXO-2,5-DIHYDRO-1H-PYRROL-1-YL)THIOPHENE-2-CARBOXYLATE.cml