5407-93-2
3-CYANO-5-NITRO-4,6-DIMETHYL-2-PYRIDONE
Name3-CYANO-5-NITRO-4,6-DIMETHYL-2-PYRIDONE
1Identification
【Name】
3-CYANO-5-NITRO-4,6-DIMETHYL-2-PYRIDONE
【CAS】
【MDL】
MFCD00461002
【English Synonyms】
【Formula】
C8 H7 N3 O3
【MolWeight】
193.161
【Inchi】
InChI=1S/C8H7N3O3/c1-4-6(3-9)8(12)10-5(2)7(4)11(13)14/h1-2H3,(H,10,12)
【InChIKey】
InChIKey=BRVIZBAZAJBTFY-UHFFFAOYSA-N
【SMILES】
Cc1c(c(=O)[nH]c(c1[N+](=O)[O-])C)C#N
【MOL File】
3-CYANO-5-NITRO-4,6-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-CYANO-5-NITRO-4,6-DIMETHYL-2-PYRIDONE.cml