55613-19-9
1-(4-PYRIDYL)METHYLENEIMMONIUM-3-PYRAZOLIDINEONE-1,2-INNER SALT
Name1-(4-PYRIDYL)METHYLENEIMMONIUM-3-PYRAZOLIDINEONE-1,2-INNER SALT
1Identification
【Name】
1-(4-PYRIDYL)METHYLENEIMMONIUM-3-PYRAZOLIDINEONE-1,2-INNER SALT
【CAS】
【MDL】
MFCD00138857
【English Synonyms】
【Formula】
C9 H9 N3 O
【MolWeight】
175.19
【Inchi】
InChI=1S/C9H9N3O/c13-9-3-6-12(11-9)7-8-1-4-10-5-2-8/h1-2,4-5,7H,3,6H2/b12-7+
【InChIKey】
InChIKey=NCEHSCFLZFRLGW-KPKJPENVSA-N
【SMILES】
c1cnccc1/C=[N+]/2\CCC(=O)[N-]2
【MOL File】
1-(4-PYRIDYL)METHYLE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(4-PYRIDYL)METHYLENEIMMONIUM-3-PYRAZOLIDINEONE-1,2-INNER SALT.cml