349644-03-7
4-(3,4-DIHYDROQUINOLIN-1(2H)-YL)-4-OXOBUTANOIC ACID
Name4-(3,4-DIHYDROQUINOLIN-1(2H)-YL)-4-OXOBUTANOIC ACID
1Identification
【Name】
4-(3,4-DIHYDROQUINOLIN-1(2H)-YL)-4-OXOBUTANOIC ACID
【CAS】
【MDL】
MFCD00118822
【English Synonyms】
【Formula】
C13 H15 N O3
【MolWeight】
233.266
【Inchi】
InChI=1S/C13H15NO3/c15-12(7-8-13(16)17)14-9-3-5-10-4-1-2-6-11(10)14/h1-2,4,6H,3,5,7-9H2,(H,16,17)
【InChIKey】
InChIKey=DNKIZDFFMHNPNH-UHFFFAOYSA-N
【SMILES】
c1ccc2c(c1)CCCN2C(=O)CCC(=O)O
【MOL File】
4-(3,4-DIHYDROQUINOL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(3,4-DIHYDROQUINOLIN-1(2H)-YL)-4-OXOBUTANOIC ACID.cml