7478-08-2
1-(2-HYDROXY-5-METHYLBENZOYLMETHYL)PYRIDINIUM IODIDE
Name1-(2-HYDROXY-5-METHYLBENZOYLMETHYL)PYRIDINIUM IODIDE
1Identification
【Name】
1-(2-HYDROXY-5-METHYLBENZOYLMETHYL)PYRIDINIUM IODIDE
【CAS】
【MDL】
MFCD00160211
【English Synonyms】
【Formula】
C14 H14 N O2 . I
【MolWeight】
355.17
【Inchi】
InChI=1S/C14H13NO2.HI/c1-11-5-6-13(16)12(9-11)14(17)10-15-7-3-2-4-8-15;/h2-9H,10H2,1H3;1H
【InChIKey】
InChIKey=CBRSUNOLVUBPLJ-UHFFFAOYSA-N
【SMILES】
Cc1ccc(c(c1)C(=O)C[n+]2ccccc2)O.[I-]
【MOL File】
1-(2-HYDROXY-5-METHY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(2-HYDROXY-5-METHYLBENZOYLMETHYL)PYRIDINIUM IODIDE.cml