69912-08-9
3,5-DIMETHYLPYRROLE-2,4-DICARBOXYLIC ACID 2-BENZYL ESTER 4-T-BUTYL ESTER
Name3,5-DIMETHYLPYRROLE-2,4-DICARBOXYLIC ACID 2-BENZYL ESTER 4-T-BUTYL ESTER
1Identification
【Name】
3,5-DIMETHYLPYRROLE-2,4-DICARBOXYLIC ACID 2-BENZYL ESTER 4-T-BUTYL ESTER
【CAS】
【MDL】
MFCD00159475
【English Synonyms】
【Formula】
C19 H23 N O4
【MolWeight】
329.394
【Inchi】
InChI=1S/C19H23NO4/c1-12-15(17(21)24-19(3,4)5)13(2)20-16(12)18(22)23-11-14-9-7-6-8-10-14/h6-10,20H,11H2,1-5H3
【InChIKey】
InChIKey=RGMZBIYJTSNGTO-UHFFFAOYSA-N
【SMILES】
Cc1c(c([nH]c1C(=O)OCc2ccccc2)C)C(=O)OC(C)(C)C
【MOL File】
3,5-DIMETHYLPYRROLE-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3,5-DIMETHYLPYRROLE-2,4-DICARBOXYLIC ACID 2-BENZYL ESTER 4-T-BUTYL ESTER.cml