136116-84-2
(5-BENZOYL-1H-PYRROL-2-YL)METHANETRICARBOXYLIC ACID TRIETHYL ESTER
Name(5-BENZOYL-1H-PYRROL-2-YL)METHANETRICARBOXYLIC ACID TRIETHYL ESTER
1Identification
【Name】
(5-BENZOYL-1H-PYRROL-2-YL)METHANETRICARBOXYLIC ACID TRIETHYL ESTER
【CAS】
【MDL】
MFCD09953783
【English Synonyms】
【Formula】
C21 H23 N O7
【MolWeight】
401.413
【Inchi】
InChI=1S/C21H23NO7/c1-4-27-18(24)21(19(25)28-5-2,20(26)29-6-3)16-13-12-15(22-16)17(23)14-10-8-7-9-11-14/h7-13,22H,4-6H2,1-3H3
【InChIKey】
InChIKey=OCRWZUNHMLTTST-UHFFFAOYSA-N
【SMILES】
CCOC(=O)C(c1ccc([nH]1)C(=O)c2ccccc2)(C(=O)OCC)C(=O)OCC
【MOL File】
(5-BENZOYL-1H-PYRROL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:8
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(5-BENZOYL-1H-PYRROL-2-YL)METHANETRICARBOXYLIC ACID TRIETHYL ESTER.cml