866008-20-0
5-[(4-NITROBENZYL)OXY]-6-OXO-1,2,3,6-TETRAHYDRO-4-PYRIDINECARBOXYLIC ACID
Name5-[(4-NITROBENZYL)OXY]-6-OXO-1,2,3,6-TETRAHYDRO-4-PYRIDINECARBOXYLIC ACID
1Identification
【Name】
5-[(4-NITROBENZYL)OXY]-6-OXO-1,2,3,6-TETRAHYDRO-4-PYRIDINECARBOXYLIC ACID
【CAS】
【MDL】
MFCD05670107
【English Synonyms】
【Formula】
C13 H12 N2 O6
【MolWeight】
292.246
【Inchi】
InChI=1S/C13H12N2O6/c16-12-11(10(13(17)18)5-6-14-12)21-7-8-1-3-9(4-2-8)15(19)20/h1-4H,5-7H2,(H,14,16)(H,17,18)
【InChIKey】
InChIKey=PWNJYCUJBFAZPC-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1COC2=C(CCNC2=O)C(=O)O)[N+](=O)[O-]
【MOL File】
5-[(4-NITROBENZYL)OX….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:8
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-[(4-NITROBENZYL)OXY]-6-OXO-1,2,3,6-TETRAHYDRO-4-PYRIDINECARBOXYLIC ACID.cml