823217-69-2
1H-PYRROLO[2,3-B]PYRIDINE-1,2-DICARBOXYLIC ACID, 5-HYDROXY-, 1-(1,1-DIMETHYLETHYL) 2-ETHYL ESTER
Name1H-PYRROLO[2,3-B]PYRIDINE-1,2-DICARBOXYLIC ACID, 5-HYDROXY-, 1-(1,1-DIMETHYLETHYL) 2-ETHYL ESTER
1Identification
【Name】
1H-PYRROLO[2,3-B]PYRIDINE-1,2-DICARBOXYLIC ACID, 5-HYDROXY-, 1-(1,1-DIMETHYLETHYL) 2-ETHYL ESTER
【CAS】
【MDL】
MFCD16039002
【English Synonyms】
【Formula】
C15 H18 N2 O5
【MolWeight】
306.316
【Inchi】
InChI=1S/C15H18N2O5/c1-5-21-13(19)11-7-9-6-10(18)8-16-12(9)17(11)14(20)22-15(2,3)4/h6-8,18H,5H2,1-4H3
【InChIKey】
InChIKey=CHTFLBYYKUOCRW-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1cc2cc(cnc2n1C(=O)OC(C)(C)C)O
【MOL File】
1H-PYRROLO[2,3-B]PYR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1H-PYRROLO[2,3-B]PYRIDINE-1,2-DICARBOXYLIC ACID, 5-HYDROXY-, 1-(1,1-DIMETHYLETHYL) 2-ETHYL ESTER.cml