13640-54-5
1-METHYL-4-((2-OXOCYCLOPENTYL)METHYL)PYRIDINIUM IODIDE
Name1-METHYL-4-((2-OXOCYCLOPENTYL)METHYL)PYRIDINIUM IODIDE
1Identification
【Name】
1-METHYL-4-((2-OXOCYCLOPENTYL)METHYL)PYRIDINIUM IODIDE
【CAS】
【MDL】
MFCD01690995
【English Synonyms】
【Formula】
C12 H16 N O . I
【MolWeight】
317.164
【Inchi】
InChI=1S/C12H16NO.HI/c1-13-7-5-10(6-8-13)9-11-3-2-4-12(11)14;/h5-8,11H,2-4,9H2,1H3;1H/q+1;/p-1
【InChIKey】
InChIKey=XIDLTQADHSTDJC-UHFFFAOYSA-M
【SMILES】
C[n+]1ccc(cc1)CC2CCCC2=O.[I-]
【MOL File】
1-METHYL-4-((2-OXOCY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:-1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-METHYL-4-((2-OXOCYCLOPENTYL)METHYL)PYRIDINIUM IODIDE.cml