571922-51-5
1H-PYRROLE-3-CARBOXYLIC ACID, 2,4-DIMETHYL-5-[(2-METHYL-1-OXOPROPOXY)ACETYL]-, ETHYL ESTER
Name1H-PYRROLE-3-CARBOXYLIC ACID, 2,4-DIMETHYL-5-[(2-METHYL-1-OXOPROPOXY)ACETYL]-, ETHYL ESTER
1Identification
【Name】
1H-PYRROLE-3-CARBOXYLIC ACID, 2,4-DIMETHYL-5-[(2-METHYL-1-OXOPROPOXY)ACETYL]-, ETHYL ESTER
【CAS】
【MDL】
MFCD05393815
【English Synonyms】
【Formula】
C15 H21 N O5
【MolWeight】
295.333
【Inchi】
InChI=1S/C15H21NO5/c1-6-20-15(19)12-9(4)13(16-10(12)5)11(17)7-21-14(18)8(2)3/h8,16H,6-7H2,1-5H3
【InChIKey】
InChIKey=VHVANIMHTLSWKW-UHFFFAOYSA-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-[(2-METHYL-1-OXOPROPOXY)ACETYL]-, ETHYL ESTER.cml