924834-92-4
7-(4-METHYLPHENYL)-2,5-DIOXO-1,2,5,6,7,8-HEXAHYDROQUINOLINE-3-CARBOXYLIC ACID
Name7-(4-METHYLPHENYL)-2,5-DIOXO-1,2,5,6,7,8-HEXAHYDROQUINOLINE-3-CARBOXYLIC ACID
1Identification
【Name】
7-(4-METHYLPHENYL)-2,5-DIOXO-1,2,5,6,7,8-HEXAHYDROQUINOLINE-3-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD09439077
【EnglishSynonyms】
【pro_formula】
C17 H15 N O4
【pro_molWeight】
297.309
【Inchi】
InChI=1S/C17H15NO4/c1-9-2-4-10(5-3-9)11-6-14-12(15(19)7-11)8-13(17(21)22)16(20)18-14/h2-5,8,11H,6-7H2,1H3,(H,18,20)(H,21,22)
【InChIKey】
InChIKey=NXSIUBVKCPDWHG-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)C2Cc3c(cc(c(=O)[nH]3)C(=O)O)C(=O)C2
【MOL File】
7-(4-METHYLPHENYL)-2….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:5
XLogP3:1.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
7-(4-METHYLPHENYL)-2,5-DIOXO-1,2,5,6,7,8-HEXAHYDROQUINOLINE-3-CARBOXYLIC ACID.cml