13640-48-7
1-METHYL-3-((2-OXOCYCLOHEXYLIDENE)METHYL)PYRIDINIUM IODIDE
Name1-METHYL-3-((2-OXOCYCLOHEXYLIDENE)METHYL)PYRIDINIUM IODIDE
1Identification
【Name】
1-METHYL-3-((2-OXOCYCLOHEXYLIDENE)METHYL)PYRIDINIUM IODIDE
【CAS】
【MDL】
MFCD01690992
【English Synonyms】
【Formula】
C13 H16 N O . I
【MolWeight】
329.175
【Inchi】
InChI=1S/C13H16NO.HI/c1-14-8-4-5-11(10-14)9-12-6-2-3-7-13(12)15;/h4-5,8-10H,2-3,6-7H2,1H3;1H/q+1;/p-1/b12-9+;
【InChIKey】
InChIKey=BMZHTSJXDJOKQT-NBYYMMLRSA-M
【SMILES】
C[n+]1cccc(c1)/C=C/2\CCCCC2=O.[I-]
【MOL File】
1-METHYL-3-((2-OXOCY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-METHYL-3-((2-OXOCYCLOHEXYLIDENE)METHYL)PYRIDINIUM IODIDE.cml