823217-72-7
1H-PYRROLO[2,3-B]PYRIDINE-1,2-DICARBOXYLIC ACID, 5-METHYL-, 1-(1,1-DIMETHYLETHYL) 2-ETHYL ESTER, 7-OXIDE
Name1H-PYRROLO[2,3-B]PYRIDINE-1,2-DICARBOXYLIC ACID, 5-METHYL-, 1-(1,1-DIMETHYLETHYL) 2-ETHYL ESTER, 7-OXIDE
1Identification
【Name】
1H-PYRROLO[2,3-B]PYRIDINE-1,2-DICARBOXYLIC ACID, 5-METHYL-, 1-(1,1-DIMETHYLETHYL) 2-ETHYL ESTER, 7-OXIDE
【CAS】
【MDL】
MFCD16039000
【English Synonyms】
【Formula】
C16 H20 N2 O5
【MolWeight】
320.343
【Inchi】
InChI=1S/C16H20N2O5/c1-6-22-14(19)12-8-11-7-10(2)9-17(21)13(11)18(12)15(20)23-16(3,4)5/h7-9H,6H2,1-5H3
【InChIKey】
InChIKey=GXJPUQCXMKIKFC-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1cc2cc(c[n+](c2n1C(=O)OC(C)(C)C)[O-])C
【MOL File】
1H-PYRROLO[2,3-B]PYR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:7
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1H-PYRROLO[2,3-B]PYRIDINE-1,2-DICARBOXYLIC ACID, 5-METHYL-, 1-(1,1-DIMETHYLETHYL) 2-ETHYL ESTER, 7-OXIDE.cml