4877-89-8
4-QUINOLINEACETIC ACID, 2-ACETAMIDO-, METHYL ESTER, MONOPICRATE
Name4-QUINOLINEACETIC ACID, 2-ACETAMIDO-, METHYL ESTER, MONOPICRATE
FormulaC14 H14 N2 O3 . C6 H3 N3 O7
1Identification
【Name】
4-QUINOLINEACETIC ACID, 2-ACETAMIDO-, METHYL ESTER, MONOPICRATE
【CAS】
【MDL】
MFCD09750424
【English Synonyms】
【Formula】
C14 H14 N2 O3 . C6 H3 N3 O7
【MolWeight】
487.379
【Inchi】
InChI=1S/C14H14N2O3.C6H3N3O7/c1-9(17)15-13-7-10(8-14(18)19-2)11-5-3-4-6-12(11)16-13;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-7H,8H2,1-2H3,(H,15,16,17);1-2,10H
【InChIKey】
InChIKey=GJJOKZKSCABBGN-UHFFFAOYSA-N
【SMILES】
CC(=O)Nc1cc(c2ccccc2n1)CC(=O)OC.c1c(cc(c(c1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]
【MOL File】
4-QUINOLINEACETIC AC….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-QUINOLINEACETIC ACID, 2-ACETAMIDO-, METHYL ESTER, MONOPICRATE.cml