53977-47-2
1-ISOPROPYL-4-OXO-1,4-DIHYDRO-3-QUINOLINECARBOXYLIC ACID
Name
1-ISOPROPYL-4-OXO-1,4-DIHYDRO-3-QUINOLINECARBOXYLIC ACID
Formula
C13 H13 N O3
MolWeight
231.25
1Identification
【Name】
1-ISOPROPYL-4-OXO-1,4-DIHYDRO-3-QUINOLINECARBOXYLIC ACID
【CAS】
【MDL】
MFCD01315709
【English Synonyms】
【Formula】
C13 H13 N O3
【MolWeight】
231.25
【Inchi】
InChI=1S/C13H13NO3/c1-8(2)14-7-10(13(16)17)12(15)9-5-3-4-6-11(9)14/h3-8H,1-2H3,(H,16,17)
【InChIKey】
InChIKey=GMQZCXRSOWOGAH-UHFFFAOYSA-N
【SMILES】
CC(C)n1cc(c(=O)c2c1cccc2)C(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
1-ISOPROPYL-4-OXO-1,4-DIHYDRO-3-QUINOLINECARBOXYLIC ACID.cml
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