571923-60-9
1H-PYRROLE-3-CARBOXYLIC ACID, 2,4-DIMETHYL-5-[[(1-OXO-2-BUTENYL)OXY]ACETYL]-, ETHYL ESTER
Name1H-PYRROLE-3-CARBOXYLIC ACID, 2,4-DIMETHYL-5-[[(1-OXO-2-BUTENYL)OXY]ACETYL]-, ETHYL ESTER
1Identification
【Name】
1H-PYRROLE-3-CARBOXYLIC ACID, 2,4-DIMETHYL-5-[[(1-OXO-2-BUTENYL)OXY]ACETYL]-, ETHYL ESTER
【CAS】
【MDL】
MFCD18834127
【English Synonyms】
【Formula】
C15 H19 N O5
【MolWeight】
293.317
【Inchi】
InChI=1S/C15H19NO5/c1-5-7-12(18)21-8-11(17)14-9(3)13(10(4)16-14)15(19)20-6-2/h5,7,16H,6,8H2,1-4H3/b7-5-
【InChIKey】
InChIKey=YLWWTHVGOZNPQL-ALCCZGGFSA-N
【SMILES】
CCOC(=O)c1c(c([nH]c1C)C(=O)COC(=O)/C=C\C)C
【MOL File】
1H-PYRROLE-3-CARBOXY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1H-PYRROLE-3-CARBOXYLIC ACID, 2,4-DIMETHYL-5-[[(1-OXO-2-BUTENYL)OXY]ACETYL]-, ETHYL ESTER.cml