62084-02-0
1-(4-NITROPHENYL)-5-OXO-4,5-DIHYDRO-1H-PYRAZOLE-3-CARBOXYLIC ACID
Name1-(4-NITROPHENYL)-5-OXO-4,5-DIHYDRO-1H-PYRAZOLE-3-CARBOXYLIC ACID
1Identification
【Name】
1-(4-NITROPHENYL)-5-OXO-4,5-DIHYDRO-1H-PYRAZOLE-3-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD00044061
【English Synonyms】
【Formula】
C10 H7 N3 O5
【MolWeight】
249.181
【Inchi】
InChI=1S/C10H7N3O5/c14-9-5-8(10(15)16)11-12(9)6-1-3-7(4-2-6)13(17)18/h1-4H,5H2,(H,15,16)
【InChIKey】
InChIKey=VIISNFKYOKHEAI-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1N2C(=O)CC(=N2)C(=O)O)[N+](=O)[O-]
【MOL File】
1-(4-NITROPHENYL)-5-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:8
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(4-NITROPHENYL)-5-OXO-4,5-DIHYDRO-1H-PYRAZOLE-3-CARBOXYLIC ACID.cml