57599-50-5
3,6-DIMETHYL-4-NITROPYRIDAZIN-1-IUM-1-OLATE
Name3,6-DIMETHYL-4-NITROPYRIDAZIN-1-IUM-1-OLATE
1Identification
【Name】
3,6-DIMETHYL-4-NITROPYRIDAZIN-1-IUM-1-OLATE
【CAS】
【MDL】
MFCD01692887
【English Synonyms】
【Formula】
C6 H7 N3 O3
【MolWeight】
169.139
【Inchi】
InChI=1S/C6H7N3O3/c1-4-3-6(9(11)12)5(2)7-8(4)10/h3H,1-2H3
【InChIKey】
InChIKey=HCBAEWMORMEHJX-UHFFFAOYSA-N
【SMILES】
Cc1cc(c(n[n+]1[O-])C)[N+](=O)[O-]
【MOL File】
3,6-DIMETHYL-4-NITRO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3,6-DIMETHYL-4-NITROPYRIDAZIN-1-IUM-1-OLATE.cml