736-26-5
ISONICOTINIC ACID 2-(4-NITROSO-7-OXO-1,3,5-CYCLOHEPTATRIEN-1-YL)HYDRAZIDE
NameISONICOTINIC ACID 2-(4-NITROSO-7-OXO-1,3,5-CYCLOHEPTATRIEN-1-YL)HYDRAZIDE
1Identification
【Name】
ISONICOTINIC ACID 2-(4-NITROSO-7-OXO-1,3,5-CYCLOHEPTATRIEN-1-YL)HYDRAZIDE
【CAS】
【MDL】
MFCD01717732
【English Synonyms】
【Formula】
C13 H10 N4 O3
【MolWeight】
270.247
【Inchi】
InChI=1S/C13H10N4O3/c18-12-4-2-10(17-20)1-3-11(12)15-16-13(19)9-5-7-14-8-6-9/h1-8H,(H,15,18)(H,16,19)
【InChIKey】
InChIKey=MQDAALFMMPMHAN-UHFFFAOYSA-N
【SMILES】
c1cc(c(=O)ccc1N=O)NNC(=O)c2ccncc2
【MOL File】
ISONICOTINIC ACID 2-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ISONICOTINIC ACID 2-(4-NITROSO-7-OXO-1,3,5-CYCLOHEPTATRIEN-1-YL)HYDRAZIDE.cml