738-64-7
ISONICOTINIC ACID 2-(4-NITROSO-7-OXO-1,3,5-CYCLOHEPTATRIEN-1-YL)HYDRAZIDE 1-OXIDE
NameISONICOTINIC ACID 2-(4-NITROSO-7-OXO-1,3,5-CYCLOHEPTATRIEN-1-YL)HYDRAZIDE 1-OXIDE
1Identification
【Name】
ISONICOTINIC ACID 2-(4-NITROSO-7-OXO-1,3,5-CYCLOHEPTATRIEN-1-YL)HYDRAZIDE 1-OXIDE
【CAS】
【MDL】
MFCD01717733
【English Synonyms】
【Formula】
C13 H10 N4 O4
【MolWeight】
286.246
【Inchi】
InChI=1S/C13H10N4O4/c18-12-4-2-10(16-20)1-3-11(12)14-15-13(19)9-5-7-17(21)8-6-9/h1-8H,(H,14,18)(H,15,19)
【InChIKey】
InChIKey=VICCRTMLKQJQCA-UHFFFAOYSA-N
【SMILES】
c1cc(c(=O)ccc1N=O)NNC(=O)c2cc[n+](cc2)[O-]
【MOL File】
ISONICOTINIC ACID 2-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:8
XLogP3:-1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ISONICOTINIC ACID 2-(4-NITROSO-7-OXO-1,3,5-CYCLOHEPTATRIEN-1-YL)HYDRAZIDE 1-OXIDE.cml