289882-61-7
4-(2,4,6-TRIMETHYLPHENYL)-1H-PYRROLE-3-CARBOXYLIC ACID ETHYL ESTER
Name4-(2,4,6-TRIMETHYLPHENYL)-1H-PYRROLE-3-CARBOXYLIC ACID ETHYL ESTER
1Identification
【Name】
4-(2,4,6-TRIMETHYLPHENYL)-1H-PYRROLE-3-CARBOXYLIC ACID ETHYL ESTER
【CAS】
【MDL】
MFCD11217757
【English Synonyms】
【Formula】
C16 H19 N O2
【MolWeight】
257.331
【Inchi】
InChI=1S/C16H19NO2/c1-5-19-16(18)14-9-17-8-13(14)15-11(3)6-10(2)7-12(15)4/h6-9,17H,5H2,1-4H3
【InChIKey】
InChIKey=GJZGZPSHCWLHKK-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1c[nH]cc1c2c(cc(cc2C)C)C
【MOL File】
4-(2,4,6-TRIMETHYLPH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2,4,6-TRIMETHYLPHENYL)-1H-PYRROLE-3-CARBOXYLIC ACID ETHYL ESTER.cml