75240-77-6
7-(DIETHYLAMINO)COUMARIN-3,4-DICARBOXYLIC ACID
Name7-(DIETHYLAMINO)COUMARIN-3,4-DICARBOXYLIC ACID
1Identification
【Name】
7-(DIETHYLAMINO)COUMARIN-3,4-DICARBOXYLIC ACID
【CAS】
【MDL】
MFCD01863001
【English Synonyms】
【Formula】
C15 H15 N O6
【MolWeight】
305.284
【Inchi】
InChI=1S/C15H15NO6/c1-3-16(4-2)8-5-6-9-10(7-8)22-15(21)12(14(19)20)11(9)13(17)18/h5-7H,3-4H2,1-2H3,(H,17,18)(H,19,20)
【InChIKey】
InChIKey=ROWOAIQVONGIAV-UHFFFAOYSA-N
【SMILES】
CCN(CC)c1ccc2c(c1)oc(=O)c(c2C(=O)O)C(=O)O
【MOL File】
7-(DIETHYLAMINO)COUM….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
7-(DIETHYLAMINO)COUMARIN-3,4-DICARBOXYLIC ACID.cml