27808-55-5
5-METHYL-[1,2,5]OXADIAZOLO[3,4-B]PYRIDIN-3-IUM-3-OLATE
Name5-METHYL-[1,2,5]OXADIAZOLO[3,4-B]PYRIDIN-3-IUM-3-OLATE
1Identification
【Name】
5-METHYL-[1,2,5]OXADIAZOLO[3,4-B]PYRIDIN-3-IUM-3-OLATE
【CAS】
【MDL】
MFCD18804250
【English Synonyms】
【Formula】
C6 H5 N3 O2
【MolWeight】
151.124
【Inchi】
InChI=1S/C6H5N3O2/c1-4-2-3-5-6(7-4)9(10)11-8-5/h2-3H,1H3
【InChIKey】
InChIKey=MSXSXBBTZYUOOO-UHFFFAOYSA-N
【SMILES】
Cc1ccc2c(n1)[n+](on2)[O-]
【MOL File】
5-METHYL-[1,2,5]OXAD….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-METHYL-[1,2,5]OXADIAZOLO[3,4-B]PYRIDIN-3-IUM-3-OLATE.cml